2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methylbenzenesulfonamide

C15H16ClNO3S — CID 103825688

IUPAC2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](CO)c2ccccc2)c(Cl)c1
InChIInChI=1S/C15H16ClNO3S/c1-11-7-8-15(13(16)9-11)21(19,20)17-14(10-18)12-5-3-2-4-6-12/h2-9,14,17-18H,10H2,1H3/t14-/m1/s1
InChIKeyLWIJEBOONLJUFR-CQSZACIVSA-N
MW325.82 g/mol
LogP2.66
Rot. Bonds5

About 2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methylbenzenesulfonamide

2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methylbenzenesulfonamide (PubChem CID 103825688) has the molecular formula C15H16ClNO3S and a molecular weight of 325.82 g/mol. Its IUPAC name is 2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methylbenzenesulfonamide
PubChem CID103825688
Molecular FormulaC15H16ClNO3S
Molecular Weight325.82 g/mol
Exact Mass325.05
IUPAC Name2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](CO)c2ccccc2)c(Cl)c1
InChIInChI=1S/C15H16ClNO3S/c1-11-7-8-15(13(16)9-11)21(19,20)17-14(10-18)12-5-3-2-4-6-12/h2-9,14,17-18H,10H2,1H3/t14-/m1/s1
InChIKeyLWIJEBOONLJUFR-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

2-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methylbenzenesulfonamide
CID 107861957
4-amino-2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 107861980
3-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-2-methylbenzenesulfonamide
CID 103825635
3-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylbenzenesulfonamide
CID 103837050
2,5-dichloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103837069
2,3-dichloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103837084
3,4-dichloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103825631
3-chloro-2-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103837095
1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-disulfonamide
CID 101191621
(2S)-2-[(2-chloro-4-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 104935068
3-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-5-methylbenzenesulfonamide
CID 107862011
2-amino-5-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 107861982

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methylbenzenesulfonamide?
The IUPAC name of 2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methylbenzenesulfonamide (CID 103825688) is 2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@H](CO)c2ccccc2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methylbenzenesulfonamide?
The InChIKey is LWIJEBOONLJUFR-CQSZACIVSA-N. The full InChI is InChI=1S/C15H16ClNO3S/c1-11-7-8-15(13(16)9-11)21(19,20)17-14(10-18)12-5-3-2-4-6-12/h2-9,14,17-18H,10H2,1H3/t14-/m1/s1.
What are the key properties of 2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methylbenzenesulfonamide?
2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-4-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 2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 103825688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).