4-chloro-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide

C15H16ClNO3S — CID 10471593

IUPAC4-chloro-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C15H16ClNO3S/c1-11(15(18)12-5-3-2-4-6-12)17-21(19,20)14-9-7-13(16)8-10-14/h2-11,15,17-18H,1H3/t11-,15-/m1/s1
InChIKeyVDFLBQRQURIRRH-IAQYHMDHSA-N
MW325.82 g/mol
LogP2.74
Rot. Bonds5

About 4-chloro-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide

4-chloro-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide (PubChem CID 10471593) has the molecular formula C15H16ClNO3S and a molecular weight of 325.82 g/mol. Its IUPAC name is 4-chloro-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide
PubChem CID10471593
Molecular FormulaC15H16ClNO3S
Molecular Weight325.82 g/mol
Exact Mass325.05
IUPAC Name4-chloro-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C15H16ClNO3S/c1-11(15(18)12-5-3-2-4-6-12)17-21(19,20)14-9-7-13(16)8-10-14/h2-11,15,17-18H,1H3/t11-,15-/m1/s1
InChIKeyVDFLBQRQURIRRH-IAQYHMDHSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide
CID 13293571
N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-4-methylbenzenesulfonamide
CID 11162537
N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-4-nitrobenzenesulfonamide
CID 40648047
N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-4-nitrobenzenesulfonamide
CID 40648034
N-[(2S,3S)-1-(4-chlorophenyl)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide
CID 154511661
4-chloro-N-(2,2,2-trichloro-1-hydroxyethyl)benzenesulfonamide
CID 3745238
4-chloro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzenesulfonamide
CID 7062742
4-chloro-N-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]benzenesulfonamide
CID 2328593
N-[1-(4-chlorophenyl)ethyl]-4-phenylbenzenesulfonamide
CID 3814235
2-[(4-chlorophenyl)sulfonylamino]-2-phenylacetamide
CID 16604920
N-(2-amino-1,2-diphenylethyl)-4-chlorobenzenesulfonamide
CID 23443554
2-[(4-chlorophenyl)sulfonylamino]-N-phenylpropanamide
CID 50740302

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide (CID 10471593) is 4-chloro-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide is C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@@H](O)c1ccccc1.
What is the InChIKey of 4-chloro-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide?
The InChIKey is VDFLBQRQURIRRH-IAQYHMDHSA-N. The full InChI is InChI=1S/C15H16ClNO3S/c1-11(15(18)12-5-3-2-4-6-12)17-21(19,20)14-9-7-13(16)8-10-14/h2-11,15,17-18H,1H3/t11-,15-/m1/s1.
What are the key properties of 4-chloro-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide?
4-chloro-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide has a molecular weight of 325.82 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 10471593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).