4-chloro-N-[(2S,3S)-1-hydroxy-3-(4-methoxyphenyl)hexan-2-yl]benzenesulfonamide

C19H24ClNO4S — CID 68539073

IUPAC4-chloro-N-[(2S,3S)-1-hydroxy-3-(4-methoxyphenyl)hexan-2-yl]benzenesulfonamide
SMILESCCC[C@@H](c1ccc(OC)cc1)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H24ClNO4S/c1-3-4-18(14-5-9-16(25-2)10-6-14)19(13-22)21-26(23,24)17-11-7-15(20)8-12-17/h5-12,18-19,21-22H,3-4,13H2,1-2H3/t18-,19+/m0/s1
InChIKeyPWTLGIYHFIHDLL-RBUKOAKNSA-N
MW397.92 g/mol
LogP3.57
Rot. Bonds9

About 4-chloro-N-[(2S,3S)-1-hydroxy-3-(4-methoxyphenyl)hexan-2-yl]benzenesulfonamide

4-chloro-N-[(2S,3S)-1-hydroxy-3-(4-methoxyphenyl)hexan-2-yl]benzenesulfonamide (PubChem CID 68539073) has the molecular formula C19H24ClNO4S and a molecular weight of 397.92 g/mol. Its IUPAC name is 4-chloro-N-[(2S,3S)-1-hydroxy-3-(4-methoxyphenyl)hexan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(2S,3S)-1-hydroxy-3-(4-methoxyphenyl)hexan-2-yl]benzenesulfonamide
PubChem CID68539073
Molecular FormulaC19H24ClNO4S
Molecular Weight397.92 g/mol
Exact Mass397.11
IUPAC Name4-chloro-N-[(2S,3S)-1-hydroxy-3-(4-methoxyphenyl)hexan-2-yl]benzenesulfonamide
SMILESCCC[C@@H](c1ccc(OC)cc1)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H24ClNO4S/c1-3-4-18(14-5-9-16(25-2)10-6-14)19(13-22)21-26(23,24)17-11-7-15(20)8-12-17/h5-12,18-19,21-22H,3-4,13H2,1-2H3/t18-,19+/m0/s1
InChIKeyPWTLGIYHFIHDLL-RBUKOAKNSA-N
XLogP3.57
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.92
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(1S)-1-(4-methoxyphenyl)propyl]benzenesulfonamide
CID 40753625
4-chloro-N-[(2S,3R)-1-hydroxy-3-propylnonan-2-yl]benzenesulfonamide
CID 10090907
(2R)-3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 2338691
methyl 3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 5010476
5-chloro-N-[(2S,3S)-1-hydroxy-3-phenylhexan-2-yl]thiophene-2-sulfonamide
CID 66930190
(2S)-2-[(4-chlorophenyl)sulfonylamino]pentanoic acid
CID 788533
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 74226638
4-chloro-N-(1-hydroxy-3,3-dimethylbutan-2-yl)benzenesulfonamide
CID 21078717
4-butan-2-yl-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 22201321
4-chloro-N-[1-(4-chlorophenyl)propyl]benzenesulfonamide
CID 17191083
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
4-chloro-N-[(2S,3R)-3-(furan-2-yl)-1-hydroxy-5-methylhexan-2-yl]benzenesulfonamide
CID 11726725

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2S,3S)-1-hydroxy-3-(4-methoxyphenyl)hexan-2-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(2S,3S)-1-hydroxy-3-(4-methoxyphenyl)hexan-2-yl]benzenesulfonamide (CID 68539073) is 4-chloro-N-[(2S,3S)-1-hydroxy-3-(4-methoxyphenyl)hexan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(2S,3S)-1-hydroxy-3-(4-methoxyphenyl)hexan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(2S,3S)-1-hydroxy-3-(4-methoxyphenyl)hexan-2-yl]benzenesulfonamide is CCC[C@@H](c1ccc(OC)cc1)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(2S,3S)-1-hydroxy-3-(4-methoxyphenyl)hexan-2-yl]benzenesulfonamide?
The InChIKey is PWTLGIYHFIHDLL-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H24ClNO4S/c1-3-4-18(14-5-9-16(25-2)10-6-14)19(13-22)21-26(23,24)17-11-7-15(20)8-12-17/h5-12,18-19,21-22H,3-4,13H2,1-2H3/t18-,19+/m0/s1.
What are the key properties of 4-chloro-N-[(2S,3S)-1-hydroxy-3-(4-methoxyphenyl)hexan-2-yl]benzenesulfonamide?
4-chloro-N-[(2S,3S)-1-hydroxy-3-(4-methoxyphenyl)hexan-2-yl]benzenesulfonamide has a molecular weight of 397.92 g/mol, XLogP of 3.57, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2S,3S)-1-hydroxy-3-(4-methoxyphenyl)hexan-2-yl]benzenesulfonamide is sourced from PubChem (CID 68539073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).