N-[4-(5-chloro-2-methylanilino)phenyl]propane-1-sulfonamide

C16H19ClN2O2S — CID 112987095

IUPACN-[4-(5-chloro-2-methylanilino)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Nc2cc(Cl)ccc2C)cc1
InChIInChI=1S/C16H19ClN2O2S/c1-3-10-22(20,21)19-15-8-6-14(7-9-15)18-16-11-13(17)5-4-12(16)2/h4-9,11,18-19H,3,10H2,1-2H3
InChIKeyIFXZIZDGXXHOAJ-UHFFFAOYSA-N
MW338.86 g/mol
LogP4.54
Rot. Bonds6

About N-[4-(5-chloro-2-methylanilino)phenyl]propane-1-sulfonamide

N-[4-(5-chloro-2-methylanilino)phenyl]propane-1-sulfonamide (PubChem CID 112987095) has the molecular formula C16H19ClN2O2S and a molecular weight of 338.86 g/mol. Its IUPAC name is N-[4-(5-chloro-2-methylanilino)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(5-chloro-2-methylanilino)phenyl]propane-1-sulfonamide
PubChem CID112987095
Molecular FormulaC16H19ClN2O2S
Molecular Weight338.86 g/mol
Exact Mass338.09
IUPAC NameN-[4-(5-chloro-2-methylanilino)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Nc2cc(Cl)ccc2C)cc1
InChIInChI=1S/C16H19ClN2O2S/c1-3-10-22(20,21)19-15-8-6-14(7-9-15)18-16-11-13(17)5-4-12(16)2/h4-9,11,18-19H,3,10H2,1-2H3
InChIKeyIFXZIZDGXXHOAJ-UHFFFAOYSA-N
XLogP4.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.86
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methylphenyl)butane-1-sulfonamide
CID 6466028
N-[4-(4-chloro-2-methoxy-5-methylanilino)phenyl]propane-1-sulfonamide
CID 112989746
N-[4-(2,4,6-trimethylanilino)phenyl]propane-1-sulfonamide
CID 112986671
N-[4-(2-chloro-4,6-dimethylanilino)phenyl]propane-1-sulfonamide
CID 112987192
N-[4-(4-methylanilino)phenyl]propane-1-sulfonamide
CID 112986049
N-[4-(2,3-dichloroanilino)phenyl]propane-1-sulfonamide
CID 112989699
N-[4-[2-(2,4-dichlorophenyl)ethylamino]phenyl]propane-1-sulfonamide
CID 112985739
N-(5-chloro-2-hydroxyphenyl)propane-1-sulfonamide
CID 43114648
N-(4-chlorophenyl)-2-(propylamino)ethanesulfonamide
CID 114141200
N-[4-(3-chloroanilino)phenyl]butane-1-sulfonamide
CID 112986998
N-[5-(2,5-dimethylanilino)-2-pyridinyl]propane-1-sulfonamide
CID 113032063
N-(4-chloro-2-fluorophenyl)propane-1-sulfonamide
CID 60640735

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chloro-2-methylanilino)phenyl]propane-1-sulfonamide?
The IUPAC name of N-[4-(5-chloro-2-methylanilino)phenyl]propane-1-sulfonamide (CID 112987095) is N-[4-(5-chloro-2-methylanilino)phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[4-(5-chloro-2-methylanilino)phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[4-(5-chloro-2-methylanilino)phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(Nc2cc(Cl)ccc2C)cc1.
What is the InChIKey of N-[4-(5-chloro-2-methylanilino)phenyl]propane-1-sulfonamide?
The InChIKey is IFXZIZDGXXHOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2S/c1-3-10-22(20,21)19-15-8-6-14(7-9-15)18-16-11-13(17)5-4-12(16)2/h4-9,11,18-19H,3,10H2,1-2H3.
What are the key properties of N-[4-(5-chloro-2-methylanilino)phenyl]propane-1-sulfonamide?
N-[4-(5-chloro-2-methylanilino)phenyl]propane-1-sulfonamide has a molecular weight of 338.86 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chloro-2-methylanilino)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 112987095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).