5-chloro-2-methoxy-N-[(2S)-2-phenylpropyl]benzenesulfonamide

C16H18ClNO3S — CID 100551051

IUPAC5-chloro-2-methoxy-N-[(2S)-2-phenylpropyl]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NC[C@@H](C)c1ccccc1
InChIInChI=1S/C16H18ClNO3S/c1-12(13-6-4-3-5-7-13)11-18-22(19,20)16-10-14(17)8-9-15(16)21-2/h3-10,12,18H,11H2,1-2H3/t12-/m1/s1
InChIKeyPPHHERBATALVMW-GFCCVEGCSA-N
MW339.84 g/mol
LogP3.43
Rot. Bonds6

About 5-chloro-2-methoxy-N-[(2S)-2-phenylpropyl]benzenesulfonamide

5-chloro-2-methoxy-N-[(2S)-2-phenylpropyl]benzenesulfonamide (PubChem CID 100551051) has the molecular formula C16H18ClNO3S and a molecular weight of 339.84 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[(2S)-2-phenylpropyl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[(2S)-2-phenylpropyl]benzenesulfonamide
PubChem CID100551051
Molecular FormulaC16H18ClNO3S
Molecular Weight339.84 g/mol
Exact Mass339.07
IUPAC Name5-chloro-2-methoxy-N-[(2S)-2-phenylpropyl]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NC[C@@H](C)c1ccccc1
InChIInChI=1S/C16H18ClNO3S/c1-12(13-6-4-3-5-7-13)11-18-22(19,20)16-10-14(17)8-9-15(16)21-2/h3-10,12,18H,11H2,1-2H3/t12-/m1/s1
InChIKeyPPHHERBATALVMW-GFCCVEGCSA-N
XLogP3.43
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.84
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-2-methoxy-N-[(2S)-2-phenylpropyl]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

5-chloro-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824319
N-benzyl-5-chloro-2-methoxybenzenesulfonamide
CID 801444
3-chloro-4-methoxy-N-[(2S)-2-phenylpropyl]benzenesulfonamide
CID 37498470
5-chloro-2-methoxy-N-(3-methyl-1-phenylbutyl)benzenesulfonamide
CID 133160729
4-methoxy-2,3-dimethyl-N-[(2R)-2-phenylpropyl]benzenesulfonamide
CID 100550950
5-chloro-2-methoxy-N-(2-phenylpropyl)aniline
CID 43105776
5-chloro-2-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 90598909
5-chloro-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-2-methoxybenzenesulfonamide
CID 95367250
3-bromo-4-methoxy-N-[(2R)-2-phenylpropyl]benzenesulfonamide
CID 32945181
5-chloro-2-methoxy-N-propylbenzenesulfonamide
CID 2234484
5-chloro-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]-2-methoxybenzenesulfonamide
CID 52906915
5-chloro-N-[2-(furan-3-yl)-2-hydroxyethyl]-2-methoxybenzenesulfonamide
CID 71798368

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[(2S)-2-phenylpropyl]benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N-[(2S)-2-phenylpropyl]benzenesulfonamide (CID 100551051) is 5-chloro-2-methoxy-N-[(2S)-2-phenylpropyl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[(2S)-2-phenylpropyl]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[(2S)-2-phenylpropyl]benzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)NC[C@@H](C)c1ccccc1.
What is the InChIKey of 5-chloro-2-methoxy-N-[(2S)-2-phenylpropyl]benzenesulfonamide?
The InChIKey is PPHHERBATALVMW-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18ClNO3S/c1-12(13-6-4-3-5-7-13)11-18-22(19,20)16-10-14(17)8-9-15(16)21-2/h3-10,12,18H,11H2,1-2H3/t12-/m1/s1.
What are the key properties of 5-chloro-2-methoxy-N-[(2S)-2-phenylpropyl]benzenesulfonamide?
5-chloro-2-methoxy-N-[(2S)-2-phenylpropyl]benzenesulfonamide has a molecular weight of 339.84 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[(2S)-2-phenylpropyl]benzenesulfonamide is sourced from PubChem (CID 100551051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).