N-[4,5-dichloro-2-(2-methylpropylamino)phenyl]-4-methylbenzenesulfonamide

C17H20Cl2N2O2S — CID 169370593

IUPACN-[4,5-dichloro-2-(2-methylpropylamino)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2NCC(C)C)cc1
InChIInChI=1S/C17H20Cl2N2O2S/c1-11(2)10-20-16-8-14(18)15(19)9-17(16)21-24(22,23)13-6-4-12(3)5-7-13/h4-9,11,20-21H,10H2,1-3H3
InChIKeyPSHKFTPLRYXZTO-UHFFFAOYSA-N
MW387.33 g/mol
LogP5.17
Rot. Bonds6

About N-[4,5-dichloro-2-(2-methylpropylamino)phenyl]-4-methylbenzenesulfonamide

N-[4,5-dichloro-2-(2-methylpropylamino)phenyl]-4-methylbenzenesulfonamide (PubChem CID 169370593) has the molecular formula C17H20Cl2N2O2S and a molecular weight of 387.33 g/mol. Its IUPAC name is N-[4,5-dichloro-2-(2-methylpropylamino)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4,5-dichloro-2-(2-methylpropylamino)phenyl]-4-methylbenzenesulfonamide
PubChem CID169370593
Molecular FormulaC17H20Cl2N2O2S
Molecular Weight387.33 g/mol
Exact Mass386.06
IUPAC NameN-[4,5-dichloro-2-(2-methylpropylamino)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2NCC(C)C)cc1
InChIInChI=1S/C17H20Cl2N2O2S/c1-11(2)10-20-16-8-14(18)15(19)9-17(16)21-24(22,23)13-6-4-12(3)5-7-13/h4-9,11,20-21H,10H2,1-3H3
InChIKeyPSHKFTPLRYXZTO-UHFFFAOYSA-N
XLogP5.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.33
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[4-(2-methylpropylamino)phenyl]benzenesulfonamide
CID 112980396
N-(4-amino-2,5-dichlorophenyl)-4-methylbenzenesulfonamide
CID 3637630
4-(4-methylphenyl)-N-(2-methylpropyl)benzenesulfonamide
CID 70038697
4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 1241617
N-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]-4-methylbenzenesulfonamide
CID 2796859
3-chloro-N-(3-methylbutyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 28632726
N-(2-chloro-4-iodophenyl)-4-methylbenzenesulfonamide
CID 39875442
3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-pentan-2-ylbenzamide
CID 43877132
N-[4-chloro-3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 169373284
N-(2-chloro-4-methylphenyl)-4-(ethylamino)benzenesulfonamide
CID 62145281
N-[4-chloro-2-(chloromethyl)phenyl]-4-methylbenzenesulfonamide
CID 163288986
4-methyl-N-(2,4,5-trimethylphenyl)benzenesulfonamide
CID 59317382

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dichloro-2-(2-methylpropylamino)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4,5-dichloro-2-(2-methylpropylamino)phenyl]-4-methylbenzenesulfonamide (CID 169370593) is N-[4,5-dichloro-2-(2-methylpropylamino)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4,5-dichloro-2-(2-methylpropylamino)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4,5-dichloro-2-(2-methylpropylamino)phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2NCC(C)C)cc1.
What is the InChIKey of N-[4,5-dichloro-2-(2-methylpropylamino)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is PSHKFTPLRYXZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2O2S/c1-11(2)10-20-16-8-14(18)15(19)9-17(16)21-24(22,23)13-6-4-12(3)5-7-13/h4-9,11,20-21H,10H2,1-3H3.
What are the key properties of N-[4,5-dichloro-2-(2-methylpropylamino)phenyl]-4-methylbenzenesulfonamide?
N-[4,5-dichloro-2-(2-methylpropylamino)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 387.33 g/mol, XLogP of 5.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dichloro-2-(2-methylpropylamino)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 169370593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).