N-[4-(3-chloroanilino)phenyl]butane-1-sulfonamide

C16H19ClN2O2S — CID 112986998

IUPACN-[4-(3-chloroanilino)phenyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C16H19ClN2O2S/c1-2-3-11-22(20,21)19-15-9-7-14(8-10-15)18-16-6-4-5-13(17)12-16/h4-10,12,18-19H,2-3,11H2,1H3
InChIKeyUCIIXBZCDXDXHG-UHFFFAOYSA-N
MW338.86 g/mol
LogP4.63
Rot. Bonds7

About N-[4-(3-chloroanilino)phenyl]butane-1-sulfonamide

N-[4-(3-chloroanilino)phenyl]butane-1-sulfonamide (PubChem CID 112986998) has the molecular formula C16H19ClN2O2S and a molecular weight of 338.86 g/mol. Its IUPAC name is N-[4-(3-chloroanilino)phenyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(3-chloroanilino)phenyl]butane-1-sulfonamide
PubChem CID112986998
Molecular FormulaC16H19ClN2O2S
Molecular Weight338.86 g/mol
Exact Mass338.09
IUPAC NameN-[4-(3-chloroanilino)phenyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C16H19ClN2O2S/c1-2-3-11-22(20,21)19-15-9-7-14(8-10-15)18-16-6-4-5-13(17)12-16/h4-10,12,18-19H,2-3,11H2,1H3
InChIKeyUCIIXBZCDXDXHG-UHFFFAOYSA-N
XLogP4.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.86
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-(3-chloroanilino)phenyl]butane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(3-fluoroanilino)phenyl]butane-1-sulfonamide
CID 112988982
N-[6-(3-chloroanilino)-3-pyridinyl]propane-1-sulfonamide
CID 113018556
N-(3-formylphenyl)butane-1-sulfonamide
CID 87474452
N-(3-aminophenyl)butane-1-sulfonamide
CID 16778445
N-(3-methylsulfonylphenyl)butane-1-sulfonamide
CID 110779460
N-[4-(5-chloro-2-methylanilino)phenyl]propane-1-sulfonamide
CID 112987095
N-[4-(2-fluoroanilino)phenyl]butane-1-sulfonamide
CID 112986795
N-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]propane-1-sulfonamide
CID 112984531
N-(2,4-dichlorophenyl)butane-1-sulfonamide
CID 110757016
N-[4-(4-methylanilino)phenyl]propane-1-sulfonamide
CID 112986049
N-[4-(2,3-dichloroanilino)phenyl]propane-1-sulfonamide
CID 112989699
N-(6-chloro-3-pyridinyl)butane-1-sulfonamide
CID 107095360

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chloroanilino)phenyl]butane-1-sulfonamide?
The IUPAC name of N-[4-(3-chloroanilino)phenyl]butane-1-sulfonamide (CID 112986998) is N-[4-(3-chloroanilino)phenyl]butane-1-sulfonamide.
What is the SMILES notation for N-[4-(3-chloroanilino)phenyl]butane-1-sulfonamide?
The canonical SMILES for N-[4-(3-chloroanilino)phenyl]butane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccc(Nc2cccc(Cl)c2)cc1.
What is the InChIKey of N-[4-(3-chloroanilino)phenyl]butane-1-sulfonamide?
The InChIKey is UCIIXBZCDXDXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2S/c1-2-3-11-22(20,21)19-15-9-7-14(8-10-15)18-16-6-4-5-13(17)12-16/h4-10,12,18-19H,2-3,11H2,1H3.
What are the key properties of N-[4-(3-chloroanilino)phenyl]butane-1-sulfonamide?
N-[4-(3-chloroanilino)phenyl]butane-1-sulfonamide has a molecular weight of 338.86 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chloroanilino)phenyl]butane-1-sulfonamide is sourced from PubChem (CID 112986998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).