3-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-2-methylbenzenesulfonamide

C15H16ClNO3S — CID 103825635

IUPAC3-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)N[C@H](CO)c1ccccc1
InChIInChI=1S/C15H16ClNO3S/c1-11-13(16)8-5-9-15(11)21(19,20)17-14(10-18)12-6-3-2-4-7-12/h2-9,14,17-18H,10H2,1H3/t14-/m1/s1
InChIKeyVWUSHUDUIYYJJL-CQSZACIVSA-N
MW325.82 g/mol
LogP2.66
Rot. Bonds5

About 3-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-2-methylbenzenesulfonamide

3-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-2-methylbenzenesulfonamide (PubChem CID 103825635) has the molecular formula C15H16ClNO3S and a molecular weight of 325.82 g/mol. Its IUPAC name is 3-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-2-methylbenzenesulfonamide
PubChem CID103825635
Molecular FormulaC15H16ClNO3S
Molecular Weight325.82 g/mol
Exact Mass325.05
IUPAC Name3-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)N[C@H](CO)c1ccccc1
InChIInChI=1S/C15H16ClNO3S/c1-11-13(16)8-5-9-15(11)21(19,20)17-14(10-18)12-6-3-2-4-7-12/h2-9,14,17-18H,10H2,1H3/t14-/m1/s1
InChIKeyVWUSHUDUIYYJJL-CQSZACIVSA-N
XLogP2.66
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylbenzenesulfonamide
CID 103837050
2,3-dichloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103837084
3-chloro-2-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103837095
3-chloro-N-(1,3-dihydroxypropan-2-yl)-2-methylbenzenesulfonamide
CID 65314246
3-chloro-2-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide
CID 121018967
2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methylbenzenesulfonamide
CID 103825688
2,5-dichloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103837069
2-amino-6-chloro-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide
CID 63182602
2-amino-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide
CID 63182594
4-amino-2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 107861980
3-[(3-chloro-2-methylphenyl)sulfonylamino]butanoic acid
CID 43361690
methyl 2-[(2-hydroxy-1-phenylethyl)sulfamoyl]benzoate
CID 3447772

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-2-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-2-methylbenzenesulfonamide (CID 103825635) is 3-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-2-methylbenzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)N[C@H](CO)c1ccccc1.
What is the InChIKey of 3-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-2-methylbenzenesulfonamide?
The InChIKey is VWUSHUDUIYYJJL-CQSZACIVSA-N. The full InChI is InChI=1S/C15H16ClNO3S/c1-11-13(16)8-5-9-15(11)21(19,20)17-14(10-18)12-6-3-2-4-7-12/h2-9,14,17-18H,10H2,1H3/t14-/m1/s1.
What are the key properties of 3-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-2-methylbenzenesulfonamide?
3-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-2-methylbenzenesulfonamide has a molecular weight of 325.82 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 103825635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).