N-[(2,3-dichlorophenyl)methyl]-2-methoxy-N-methyl-4-nitrobenzenesulfonamide

C15H14Cl2N2O5S — CID 39621487

IUPACN-[(2,3-dichlorophenyl)methyl]-2-methoxy-N-methyl-4-nitrobenzenesulfonamide
SMILESCOc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C15H14Cl2N2O5S/c1-18(9-10-4-3-5-12(16)15(10)17)25(22,23)14-7-6-11(19(20)21)8-13(14)24-2/h3-8H,9H2,1-2H3
InChIKeyAZTKCZUHWLUFLT-UHFFFAOYSA-N
MW405.26 g/mol
LogP3.73
Rot. Bonds6

About N-[(2,3-dichlorophenyl)methyl]-2-methoxy-N-methyl-4-nitrobenzenesulfonamide

N-[(2,3-dichlorophenyl)methyl]-2-methoxy-N-methyl-4-nitrobenzenesulfonamide (PubChem CID 39621487) has the molecular formula C15H14Cl2N2O5S and a molecular weight of 405.26 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methyl]-2-methoxy-N-methyl-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methyl]-2-methoxy-N-methyl-4-nitrobenzenesulfonamide
PubChem CID39621487
Molecular FormulaC15H14Cl2N2O5S
Molecular Weight405.26 g/mol
Exact Mass404.00
IUPAC NameN-[(2,3-dichlorophenyl)methyl]-2-methoxy-N-methyl-4-nitrobenzenesulfonamide
SMILESCOc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C15H14Cl2N2O5S/c1-18(9-10-4-3-5-12(16)15(10)17)25(22,23)14-7-6-11(19(20)21)8-13(14)24-2/h3-8H,9H2,1-2H3
InChIKeyAZTKCZUHWLUFLT-UHFFFAOYSA-N
XLogP3.73
TPSA89.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.26
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2,3-dichlorophenyl)methyl]-N-methyl-3-nitrobenzenesulfonamide
CID 112769113
N-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-nitrobenzenesulfonamide
CID 35302707
2-chloro-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-5-nitrobenzenesulfonamide
CID 175573139
2,3-dichloro-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylbenzenesulfonamide
CID 8778154
3-chloro-N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 37497114
N-(azetidin-3-yl)-2-methoxy-N-methyl-4-nitrobenzenesulfonamide
CID 66185246
2,3-dichloro-4-methoxy-N-methyl-N-(3-nitrophenyl)benzenesulfonamide
CID 99632511
N-ethyl-2-methoxy-4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 39633177
2-chloro-N-(2-methoxyethyl)-N-methyl-5-nitrobenzenesulfonamide
CID 61045808
N-(2-hydroxyethyl)-2-methoxy-N-methyl-5-nitrobenzenesulfonamide
CID 15590967
1-(2-chlorophenyl)-4-(2-methoxy-4-nitrophenyl)sulfonylpiperazine
CID 39631506
[2-[(2,3-dichlorophenyl)methoxy]-5-nitrophenyl]methanol
CID 107306792

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)methyl]-2-methoxy-N-methyl-4-nitrobenzenesulfonamide?
The IUPAC name of N-[(2,3-dichlorophenyl)methyl]-2-methoxy-N-methyl-4-nitrobenzenesulfonamide (CID 39621487) is N-[(2,3-dichlorophenyl)methyl]-2-methoxy-N-methyl-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methyl]-2-methoxy-N-methyl-4-nitrobenzenesulfonamide?
The canonical SMILES for N-[(2,3-dichlorophenyl)methyl]-2-methoxy-N-methyl-4-nitrobenzenesulfonamide is COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)Cc1cccc(Cl)c1Cl.
What is the InChIKey of N-[(2,3-dichlorophenyl)methyl]-2-methoxy-N-methyl-4-nitrobenzenesulfonamide?
The InChIKey is AZTKCZUHWLUFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O5S/c1-18(9-10-4-3-5-12(16)15(10)17)25(22,23)14-7-6-11(19(20)21)8-13(14)24-2/h3-8H,9H2,1-2H3.
What are the key properties of N-[(2,3-dichlorophenyl)methyl]-2-methoxy-N-methyl-4-nitrobenzenesulfonamide?
N-[(2,3-dichlorophenyl)methyl]-2-methoxy-N-methyl-4-nitrobenzenesulfonamide has a molecular weight of 405.26 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)methyl]-2-methoxy-N-methyl-4-nitrobenzenesulfonamide is sourced from PubChem (CID 39621487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).