3-chloro-4-methoxy-N-[(2S)-2-phenylpropyl]benzenesulfonamide

C16H18ClNO3S — CID 37498470

IUPAC3-chloro-4-methoxy-N-[(2S)-2-phenylpropyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC[C@@H](C)c2ccccc2)cc1Cl
InChIInChI=1S/C16H18ClNO3S/c1-12(13-6-4-3-5-7-13)11-18-22(19,20)14-8-9-16(21-2)15(17)10-14/h3-10,12,18H,11H2,1-2H3/t12-/m1/s1
InChIKeyQXMBSAHLKTXDIP-GFCCVEGCSA-N
MW339.84 g/mol
LogP3.43
Rot. Bonds6

About 3-chloro-4-methoxy-N-[(2S)-2-phenylpropyl]benzenesulfonamide

3-chloro-4-methoxy-N-[(2S)-2-phenylpropyl]benzenesulfonamide (PubChem CID 37498470) has the molecular formula C16H18ClNO3S and a molecular weight of 339.84 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-[(2S)-2-phenylpropyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-[(2S)-2-phenylpropyl]benzenesulfonamide
PubChem CID37498470
Molecular FormulaC16H18ClNO3S
Molecular Weight339.84 g/mol
Exact Mass339.07
IUPAC Name3-chloro-4-methoxy-N-[(2S)-2-phenylpropyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC[C@@H](C)c2ccccc2)cc1Cl
InChIInChI=1S/C16H18ClNO3S/c1-12(13-6-4-3-5-7-13)11-18-22(19,20)14-8-9-16(21-2)15(17)10-14/h3-10,12,18H,11H2,1-2H3/t12-/m1/s1
InChIKeyQXMBSAHLKTXDIP-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

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Related Compounds

3-chloro-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 37477959
3-bromo-4-methoxy-N-[(2R)-2-phenylpropyl]benzenesulfonamide
CID 32945181
3-chloro-N-[2-(diethylamino)propyl]-4-methoxybenzenesulfonamide
CID 112502230
5-chloro-2-methoxy-N-[(2S)-2-phenylpropyl]benzenesulfonamide
CID 100551051
3-chloro-4-methoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 73168543
4-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-methoxybutanoic acid
CID 103153478
3-chloro-N-(3-ethyl-2-hydroxypentyl)-4-methoxybenzenesulfonamide
CID 103835165
3-chloro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-4-methoxybenzenesulfonamide
CID 90496345
3-chloro-N-(2-hydroxy-4,4-dimethylpentyl)-4-methoxybenzenesulfonamide
CID 103835507
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
CID 49244513
3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methoxybenzenesulfonamide
CID 90496616
4-methoxy-2,3-dimethyl-N-[(2R)-2-phenylpropyl]benzenesulfonamide
CID 100550950

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-[(2S)-2-phenylpropyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-methoxy-N-[(2S)-2-phenylpropyl]benzenesulfonamide (CID 37498470) is 3-chloro-4-methoxy-N-[(2S)-2-phenylpropyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-[(2S)-2-phenylpropyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-methoxy-N-[(2S)-2-phenylpropyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NC[C@@H](C)c2ccccc2)cc1Cl.
What is the InChIKey of 3-chloro-4-methoxy-N-[(2S)-2-phenylpropyl]benzenesulfonamide?
The InChIKey is QXMBSAHLKTXDIP-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18ClNO3S/c1-12(13-6-4-3-5-7-13)11-18-22(19,20)14-8-9-16(21-2)15(17)10-14/h3-10,12,18H,11H2,1-2H3/t12-/m1/s1.
What are the key properties of 3-chloro-4-methoxy-N-[(2S)-2-phenylpropyl]benzenesulfonamide?
3-chloro-4-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 3-chloro-4-methoxy-N-[(2S)-2-phenylpropyl]benzenesulfonamide is sourced from PubChem (CID 37498470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).