N-[4-(2-chloro-4,6-dimethylanilino)phenyl]propane-1-sulfonamide

C17H21ClN2O2S — CID 112987192

IUPACN-[4-(2-chloro-4,6-dimethylanilino)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Nc2c(C)cc(C)cc2Cl)cc1
InChIInChI=1S/C17H21ClN2O2S/c1-4-9-23(21,22)20-15-7-5-14(6-8-15)19-17-13(3)10-12(2)11-16(17)18/h5-8,10-11,19-20H,4,9H2,1-3H3
InChIKeyPBRXWEUOIIITNM-UHFFFAOYSA-N
MW352.89 g/mol
LogP4.85
Rot. Bonds6

About N-[4-(2-chloro-4,6-dimethylanilino)phenyl]propane-1-sulfonamide

N-[4-(2-chloro-4,6-dimethylanilino)phenyl]propane-1-sulfonamide (PubChem CID 112987192) has the molecular formula C17H21ClN2O2S and a molecular weight of 352.89 g/mol. Its IUPAC name is N-[4-(2-chloro-4,6-dimethylanilino)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(2-chloro-4,6-dimethylanilino)phenyl]propane-1-sulfonamide
PubChem CID112987192
Molecular FormulaC17H21ClN2O2S
Molecular Weight352.89 g/mol
Exact Mass352.10
IUPAC NameN-[4-(2-chloro-4,6-dimethylanilino)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Nc2c(C)cc(C)cc2Cl)cc1
InChIInChI=1S/C17H21ClN2O2S/c1-4-9-23(21,22)20-15-7-5-14(6-8-15)19-17-13(3)10-12(2)11-16(17)18/h5-8,10-11,19-20H,4,9H2,1-3H3
InChIKeyPBRXWEUOIIITNM-UHFFFAOYSA-N
XLogP4.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.89
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2,4,6-trimethylanilino)phenyl]propane-1-sulfonamide
CID 112986671
N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]ethanesulfonamide
CID 113033740
N-[4-(4-methylanilino)phenyl]propane-1-sulfonamide
CID 112986049
N-[4-(2-chloro-4,6-dimethylanilino)phenyl]propanamide
CID 112987182
N-[4-(5-chloro-2-methylanilino)phenyl]propane-1-sulfonamide
CID 112987095
4-(butylsulfonylamino)-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 22202772
N-[4-(4-chloro-2-methoxy-5-methylanilino)phenyl]propane-1-sulfonamide
CID 112989746
N-[4-(2,3-dichloroanilino)phenyl]propane-1-sulfonamide
CID 112989699
2,6-dichloro-4-methyl-N-(4-methylphenyl)aniline
CID 11369120
N-[4-(4-methoxyanilino)phenyl]propane-1-sulfonamide
CID 112987552
N-(4-chloro-3-methoxyphenyl)propane-1-sulfonamide
CID 107623369
N-[4-(3-chloroanilino)phenyl]butane-1-sulfonamide
CID 112986998

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chloro-4,6-dimethylanilino)phenyl]propane-1-sulfonamide?
The IUPAC name of N-[4-(2-chloro-4,6-dimethylanilino)phenyl]propane-1-sulfonamide (CID 112987192) is N-[4-(2-chloro-4,6-dimethylanilino)phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[4-(2-chloro-4,6-dimethylanilino)phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[4-(2-chloro-4,6-dimethylanilino)phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(Nc2c(C)cc(C)cc2Cl)cc1.
What is the InChIKey of N-[4-(2-chloro-4,6-dimethylanilino)phenyl]propane-1-sulfonamide?
The InChIKey is PBRXWEUOIIITNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O2S/c1-4-9-23(21,22)20-15-7-5-14(6-8-15)19-17-13(3)10-12(2)11-16(17)18/h5-8,10-11,19-20H,4,9H2,1-3H3.
What are the key properties of N-[4-(2-chloro-4,6-dimethylanilino)phenyl]propane-1-sulfonamide?
N-[4-(2-chloro-4,6-dimethylanilino)phenyl]propane-1-sulfonamide has a molecular weight of 352.89 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chloro-4,6-dimethylanilino)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 112987192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).