3-chloro-4-methoxy-N-(2-phenylpropan-2-yl)benzenesulfonamide

C16H18ClNO3S — CID 113091776

IUPAC3-chloro-4-methoxy-N-(2-phenylpropan-2-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)(C)c2ccccc2)cc1Cl
InChIInChI=1S/C16H18ClNO3S/c1-16(2,12-7-5-4-6-8-12)18-22(19,20)13-9-10-15(21-3)14(17)11-13/h4-11,18H,1-3H3
InChIKeyYSQJIDYEEHZOJX-UHFFFAOYSA-N
MW339.84 g/mol
LogP3.56
Rot. Bonds5

About 3-chloro-4-methoxy-N-(2-phenylpropan-2-yl)benzenesulfonamide

3-chloro-4-methoxy-N-(2-phenylpropan-2-yl)benzenesulfonamide (PubChem CID 113091776) has the molecular formula C16H18ClNO3S and a molecular weight of 339.84 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-(2-phenylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-(2-phenylpropan-2-yl)benzenesulfonamide
PubChem CID113091776
Molecular FormulaC16H18ClNO3S
Molecular Weight339.84 g/mol
Exact Mass339.07
IUPAC Name3-chloro-4-methoxy-N-(2-phenylpropan-2-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)(C)c2ccccc2)cc1Cl
InChIInChI=1S/C16H18ClNO3S/c1-16(2,12-7-5-4-6-8-12)18-22(19,20)13-9-10-15(21-3)14(17)11-13/h4-11,18H,1-3H3
InChIKeyYSQJIDYEEHZOJX-UHFFFAOYSA-N
XLogP3.56
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.84
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-chloro-4-methoxy-N-(2-phenylpropan-2-yl)benzenesulfonamide 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

4-methoxy-3-methyl-N-(2-phenylpropan-2-yl)benzenesulfonamide
CID 113091766
3,4-dichloro-N-(2-phenylpropan-2-yl)benzenesulfonamide
CID 113091765
3-chloro-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]benzenesulfonamide
CID 113091569
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-2-ethylbutanoic acid
CID 79814367
3-chloro-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 961849
3-chloro-N-(2,6-dichlorophenyl)-4-methoxybenzenesulfonamide
CID 113098935
N-[3-(aminomethyl)pentan-3-yl]-3-chloro-4-methoxybenzenesulfonamide
CID 63888398
3-chloro-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-methoxybenzenesulfonamide
CID 90535542
3-chloro-4-methoxy-N-[(2S)-2-phenylpropyl]benzenesulfonamide
CID 37498470
3-chloro-N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 974272
N-(2-aminophenyl)-3-chloro-4-methoxybenzenesulfonamide
CID 43605551
3-[(3-chloro-4-methoxyphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 66174031

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-(2-phenylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-methoxy-N-(2-phenylpropan-2-yl)benzenesulfonamide (CID 113091776) is 3-chloro-4-methoxy-N-(2-phenylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-(2-phenylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-methoxy-N-(2-phenylpropan-2-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)NC(C)(C)c2ccccc2)cc1Cl.
What is the InChIKey of 3-chloro-4-methoxy-N-(2-phenylpropan-2-yl)benzenesulfonamide?
The InChIKey is YSQJIDYEEHZOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3S/c1-16(2,12-7-5-4-6-8-12)18-22(19,20)13-9-10-15(21-3)14(17)11-13/h4-11,18H,1-3H3.
What are the key properties of 3-chloro-4-methoxy-N-(2-phenylpropan-2-yl)benzenesulfonamide?
3-chloro-4-methoxy-N-(2-phenylpropan-2-yl)benzenesulfonamide has a molecular weight of 339.84 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-(2-phenylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 113091776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).