N-[4-(bromomethyl)phenyl]-N-methyl-2,4-dinitrobenzenesulfonamide;4-[[tert-butyl(dimethyl)silyl]oxymethyl]aniline;N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-N-methyl-2,4-dinitrobenzenesulfonamide;tert-butyl-[(4-ethylphenyl)methoxy]-dimethylsilane;2,4-dinitrobenzenesulfonyl chloride;N-[4-(hydroxymethyl)phenyl]-N-methyl-2,4-dinitrobenzenesulfonamide

C82H104BrClN12O28S4Si3 — CID 157493333

IUPACN-[4-(bromomethyl)phenyl]-N-methyl-2,4-dinitrobenzenesulfonamide;4-[[tert-butyl(dimethyl)silyl]oxymethyl]aniline;N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-N-methyl-2,4-dinitrobenzenesulfonamide;tert-butyl-[(4-ethylphenyl)methoxy]-dimethylsilane;2,4-dinitrobenzenesulfonyl chloride;N-[4-(hydroxymethyl)phenyl]-N-methyl-2,4-dinitrobenzenesulfonamide
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(N)cc1.CCc1ccc(CO[Si](C)(C)C(C)(C)C)cc1.CN(c1ccc(CBr)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-].CN(c1ccc(CO)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-].CN(c1ccc(CO[Si](C)(C)C(C)(C)C)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O=[N+]([O-])c1ccc(S(=O)(=O)Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C20H27N3O7SSi.C15H26OSi.C14H12BrN3O6S.C14H13N3O7S.C13H23NOSi.C6H3ClN2O6S/c1-20(2,3)32(5,6)30-14-15-7-9-16(10-8-15)21(4)31(28,29)19-12-11-17(22(24)25)13-18(19)23(26)27;1-7-13-8-10-14(11-9-13)12-16-17(5,6)15(2,3)4;1-16(11-4-2-10(9-15)3-5-11)25(23,24)14-7-6-12(17(19)20)8-13(14)18(21)22;1-15(11-4-2-10(9-18)3-5-11)25(23,24)14-7-6-12(16(19)20)8-13(14)17(21)22;1-13(2,3)16(4,5)15-10-11-6-8-12(14)9-7-11;7-16(14,15)6-2-1-4(8(10)11)3-5(6)9(12)13/h7-13H,14H2,1-6H3;8-11H,7,12H2,1-6H3;2-8H,9H2,1H3;2-8,18H,9H2,1H3;6-9H,10,14H2,1-5H3;1-3H
InChIKeyBXNMWQUKRQXBSF-UHFFFAOYSA-N
MW2033.67 g/mol
LogP19.89
Rot. Bonds30

About N-[4-(bromomethyl)phenyl]-N-methyl-2,4-dinitrobenzenesulfonamide;4-[[tert-butyl(dimethyl)silyl]oxymethyl]aniline;N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-N-methyl-2,4-dinitrobenzenesulfonamide;tert-butyl-[(4-ethylphenyl)methoxy]-dimethylsilane;2,4-dinitrobenzenesulfonyl chloride;N-[4-(hydroxymethyl)phenyl]-N-methyl-2,4-dinitrobenzenesulfonamide

N-[4-(bromomethyl)phenyl]-N-methyl-2,4-dinitrobenzenesulfonamide;4-[[tert-butyl(dimethyl)silyl]oxymethyl]aniline;N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-N-methyl-2,4-dinitrobenzenesulfonamide;tert-butyl-[(4-ethylphenyl)methoxy]-dimethylsilane;2,4-dinitrobenzenesulfonyl chloride;N-[4-(hydroxymethyl)phenyl]-N-methyl-2,4-dinitrobenzenesulfonamide (PubChem CID 157493333) has the molecular formula C82H104BrClN12O28S4Si3 and a molecular weight of 2033.67 g/mol. Its IUPAC name is N-[4-(bromomethyl)phenyl]-N-methyl-2,4-dinitrobenzenesulfonamide;4-[[tert-butyl(dimethyl)silyl]oxymethyl]aniline;N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-N-methyl-2,4-dinitrobenzenesulfonamide;tert-butyl-[(4-ethylphenyl)methoxy]-dimethylsilane;2,4-dinitrobenzenesulfonyl chloride;N-[4-(hydroxymethyl)phenyl]-N-methyl-2,4-dinitrobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(bromomethyl)phenyl]-N-methyl-2,4-dinitrobenzenesulfonamide;4-[[tert-butyl(dimethyl)silyl]oxymethyl]aniline;N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-N-methyl-2,4-dinitrobenzenesulfonamide;tert-butyl-[(4-ethylphenyl)methoxy]-dimethylsilane;2,4-dinitrobenzenesulfonyl chloride;N-[4-(hydroxymethyl)phenyl]-N-methyl-2,4-dinitrobenzenesulfonamide
PubChem CID157493333
Molecular FormulaC82H104BrClN12O28S4Si3
Molecular Weight2033.67 g/mol
Exact Mass2030.41
IUPAC NameN-[4-(bromomethyl)phenyl]-N-methyl-2,4-dinitrobenzenesulfonamide;4-[[tert-butyl(dimethyl)silyl]oxymethyl]aniline;N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-N-methyl-2,4-dinitrobenzenesulfonamide;tert-butyl-[(4-ethylphenyl)methoxy]-dimethylsilane;2,4-dinitrobenzenesulfonyl chloride;N-[4-(hydroxymethyl)phenyl]-N-methyl-2,4-dinitrobenzenesulfonamide
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(N)cc1.CCc1ccc(CO[Si](C)(C)C(C)(C)C)cc1.CN(c1ccc(CBr)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-].CN(c1ccc(CO)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-].CN(c1ccc(CO[Si](C)(C)C(C)(C)C)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O=[N+]([O-])c1ccc(S(=O)(=O)Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C20H27N3O7SSi.C15H26OSi.C14H12BrN3O6S.C14H13N3O7S.C13H23NOSi.C6H3ClN2O6S/c1-20(2,3)32(5,6)30-14-15-7-9-16(10-8-15)21(4)31(28,29)19-12-11-17(22(24)25)13-18(19)23(26)27;1-7-13-8-10-14(11-9-13)12-16-17(5,6)15(2,3)4;1-16(11-4-2-10(9-15)3-5-11)25(23,24)14-7-6-12(17(19)20)8-13(14)18(21)22;1-15(11-4-2-10(9-18)3-5-11)25(23,24)14-7-6-12(16(19)20)8-13(14)17(21)22;1-13(2,3)16(4,5)15-10-11-6-8-12(14)9-7-11;7-16(14,15)6-2-1-4(8(10)11)3-5(6)9(12)13/h7-13H,14H2,1-6H3;8-11H,7,12H2,1-6H3;2-8H,9H2,1H3;2-8,18H,9H2,1H3;6-9H,10,14H2,1-5H3;1-3H
InChIKeyBXNMWQUKRQXBSF-UHFFFAOYSA-N
XLogP19.89
TPSA565.34 Ų
H-Bond Donors2
H-Bond Acceptors29
Rotatable Bonds30
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002033.67
LogP ≤ 519.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Analyze N-[4-(bromomethyl)phenyl]-N-methyl-2,4-dinitrobenzenesulfonamide;4-[[tert-butyl(dimethyl)silyl]oxymethyl]aniline;N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-N-methyl-2,4-dinitrobenzenesulfonamide;tert-butyl-[(4-ethylphenyl)methoxy]-dimethylsilane;2,4-dinitrobenzenesulfonyl chloride;N-[4-(hydroxymethyl)phenyl]-N-methyl-2,4-dinitrobenzenesulfonamide with MolForge

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Related Compounds

N-[4-(hydroxymethyl)phenyl]-N-methyl-2,4-dinitrobenzenesulfonamide
CID 121335665
[4-(bromomethyl)phenyl]methoxy-tert-butyl-dimethylsilane
CID 10757711
[2-(2-bromoethyl)-4-nitrophenyl]methoxy-tert-butyl-dimethylsilane
CID 167525353
2-ethyl-4-nitrobenzenesulfonyl chloride
CID 87194881
[3-(bromomethyl)phenyl]methoxy-tert-butyl-dimethylsilane;[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methanol
CID 159353997
1-(bromomethyl)-4-[ethoxy(methyl)phosphoryl]oxybenzene;4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenol;tert-butyl-[[4-[ethoxy(methyl)phosphoryl]oxyphenyl]methoxy]-dimethylsilane;1-[chloro(ethoxy)phosphoryl]oxyethane;[4-[ethoxy(methyl)phosphoryl]oxyphenyl]methanol
CID 157121231
tert-butyl-[(2-iodo-4-nitrophenyl)methoxy]-dimethylsilane
CID 162768339
4-(2,4-dinitrophenyl)sulfonyl-N,N-dimethylaniline
CID 4661592
methyl 4-[methyl-(2-methyl-5-nitrophenyl)sulfonylamino]benzoate
CID 100538012
4-amino-N-methyl-N-(4-methylpentan-2-yl)-2-nitrobenzenesulfonamide
CID 62152047
2-chloroethyl 2,4-dinitrobenzenesulfonate
CID 4139852
4-ethoxy-2-nitrobenzenesulfonyl chloride
CID 12514471

Frequently Asked Questions

What is the IUPAC name of N-[4-(bromomethyl)phenyl]-N-methyl-2,4-dinitrobenzenesulfonamide;4-[[tert-butyl(dimethyl)silyl]oxymethyl]aniline;N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-N-methyl-2,4-dinitrobenzenesulfonamide;tert-butyl-[(4-ethylphenyl)methoxy]-dimethylsilane;2,4-dinitrobenzenesulfonyl chloride;N-[4-(hydroxymethyl)phenyl]-N-methyl-2,4-dinitrobenzenesulfonamide?
The IUPAC name of N-[4-(bromomethyl)phenyl]-N-methyl-2,4-dinitrobenzenesulfonamide;4-[[tert-butyl(dimethyl)silyl]oxymethyl]aniline;N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-N-methyl-2,4-dinitrobenzenesulfonamide;tert-butyl-[(4-ethylphenyl)methoxy]-dimethylsilane;2,4-dinitrobenzenesulfonyl chloride;N-[4-(hydroxymethyl)phenyl]-N-methyl-2,4-dinitrobenzenesulfonamide (CID 157493333) is N-[4-(bromomethyl)phenyl]-N-methyl-2,4-dinitrobenzenesulfonamide;4-[[tert-butyl(dimethyl)silyl]oxymethyl]aniline;N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-N-methyl-2,4-dinitrobenzenesulfonamide;tert-butyl-[(4-ethylphenyl)methoxy]-dimethylsilane;2,4-dinitrobenzenesulfonyl chloride;N-[4-(hydroxymethyl)phenyl]-N-methyl-2,4-dinitrobenzenesulfonamide.
What is the SMILES notation for N-[4-(bromomethyl)phenyl]-N-methyl-2,4-dinitrobenzenesulfonamide;4-[[tert-butyl(dimethyl)silyl]oxymethyl]aniline;N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-N-methyl-2,4-dinitrobenzenesulfonamide;tert-butyl-[(4-ethylphenyl)methoxy]-dimethylsilane;2,4-dinitrobenzenesulfonyl chloride;N-[4-(hydroxymethyl)phenyl]-N-methyl-2,4-dinitrobenzenesulfonamide?
The canonical SMILES for N-[4-(bromomethyl)phenyl]-N-methyl-2,4-dinitrobenzenesulfonamide;4-[[tert-butyl(dimethyl)silyl]oxymethyl]aniline;N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-N-methyl-2,4-dinitrobenzenesulfonamide;tert-butyl-[(4-ethylphenyl)methoxy]-dimethylsilane;2,4-dinitrobenzenesulfonyl chloride;N-[4-(hydroxymethyl)phenyl]-N-methyl-2,4-dinitrobenzenesulfonamide is CC(C)(C)[Si](C)(C)OCc1ccc(N)cc1.CCc1ccc(CO[Si](C)(C)C(C)(C)C)cc1.CN(c1ccc(CBr)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-].CN(c1ccc(CO)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-].CN(c1ccc(CO[Si](C)(C)C(C)(C)C)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O=[N+]([O-])c1ccc(S(=O)(=O)Cl)c([N+](=O)[O-])c1.
What is the InChIKey of N-[4-(bromomethyl)phenyl]-N-methyl-2,4-dinitrobenzenesulfonamide;4-[[tert-butyl(dimethyl)silyl]oxymethyl]aniline;N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-N-methyl-2,4-dinitrobenzenesulfonamide;tert-butyl-[(4-ethylphenyl)methoxy]-dimethylsilane;2,4-dinitrobenzenesulfonyl chloride;N-[4-(hydroxymethyl)phenyl]-N-methyl-2,4-dinitrobenzenesulfonamide?
The InChIKey is BXNMWQUKRQXBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O7SSi.C15H26OSi.C14H12BrN3O6S.C14H13N3O7S.C13H23NOSi.C6H3ClN2O6S/c1-20(2,3)32(5,6)30-14-15-7-9-16(10-8-15)21(4)31(28,29)19-12-11-17(22(24)25)13-18(19)23(26)27;1-7-13-8-10-14(11-9-13)12-16-17(5,6)15(2,3)4;1-16(11-4-2-10(9-15)3-5-11)25(23,24)14-7-6-12(17(19)20)8-13(14)18(21)22;1-15(11-4-2-10(9-18)3-5-11)25(23,24)14-7-6-12(16(19)20)8-13(14)17(21)22;1-13(2,3)16(4,5)15-10-11-6-8-12(14)9-7-11;7-16(14,15)6-2-1-4(8(10)11)3-5(6)9(12)13/h7-13H,14H2,1-6H3;8-11H,7,12H2,1-6H3;2-8H,9H2,1H3;2-8,18H,9H2,1H3;6-9H,10,14H2,1-5H3;1-3H.
What are the key properties of N-[4-(bromomethyl)phenyl]-N-methyl-2,4-dinitrobenzenesulfonamide;4-[[tert-butyl(dimethyl)silyl]oxymethyl]aniline;N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-N-methyl-2,4-dinitrobenzenesulfonamide;tert-butyl-[(4-ethylphenyl)methoxy]-dimethylsilane;2,4-dinitrobenzenesulfonyl chloride;N-[4-(hydroxymethyl)phenyl]-N-methyl-2,4-dinitrobenzenesulfonamide?
N-[4-(bromomethyl)phenyl]-N-methyl-2,4-dinitrobenzenesulfonamide;4-[[tert-butyl(dimethyl)silyl]oxymethyl]aniline;N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-N-methyl-2,4-dinitrobenzenesulfonamide;tert-butyl-[(4-ethylphenyl)methoxy]-dimethylsilane;2,4-dinitrobenzenesulfonyl chloride;N-[4-(hydroxymethyl)phenyl]-N-methyl-2,4-dinitrobenzenesulfonamide has a molecular weight of 2033.67 g/mol, XLogP of 19.89, 30 rotatable bonds, 2 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(bromomethyl)phenyl]-N-methyl-2,4-dinitrobenzenesulfonamide;4-[[tert-butyl(dimethyl)silyl]oxymethyl]aniline;N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-N-methyl-2,4-dinitrobenzenesulfonamide;tert-butyl-[(4-ethylphenyl)methoxy]-dimethylsilane;2,4-dinitrobenzenesulfonyl chloride;N-[4-(hydroxymethyl)phenyl]-N-methyl-2,4-dinitrobenzenesulfonamide is sourced from PubChem (CID 157493333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).