N-(4-chlorophenyl)sulfonyl-2-hydroxypropanamide

C9H10ClNO4S — CID 3823677

IUPACN-(4-chlorophenyl)sulfonyl-2-hydroxypropanamide
SMILESCC(O)C(=O)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H10ClNO4S/c1-6(12)9(13)11-16(14,15)8-4-2-7(10)3-5-8/h2-6,12H,1H3,(H,11,13)
InChIKeyYHRUVVJCYRHQGX-UHFFFAOYSA-N
MW263.70 g/mol
LogP0.53
Rot. Bonds3

About N-(4-chlorophenyl)sulfonyl-2-hydroxypropanamide

N-(4-chlorophenyl)sulfonyl-2-hydroxypropanamide (PubChem CID 3823677) has the molecular formula C9H10ClNO4S and a molecular weight of 263.70 g/mol. Its IUPAC name is N-(4-chlorophenyl)sulfonyl-2-hydroxypropanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)sulfonyl-2-hydroxypropanamide
PubChem CID3823677
Molecular FormulaC9H10ClNO4S
Molecular Weight263.70 g/mol
Exact Mass263.00
IUPAC NameN-(4-chlorophenyl)sulfonyl-2-hydroxypropanamide
SMILESCC(O)C(=O)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H10ClNO4S/c1-6(12)9(13)11-16(14,15)8-4-2-7(10)3-5-8/h2-6,12H,1H3,(H,11,13)
InChIKeyYHRUVVJCYRHQGX-UHFFFAOYSA-N
XLogP0.53
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.70
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(benzenesulfonyl)-2-hydroxypropanamide
CID 2855396
N-Acetyl-4-chlorobenzenesulfonamide
CID 4486456
4-Chloro-N-(2-hydroxypropionyl)-benzenesulfonamide, O-trifluoroacetyl-
CID 91704906
4-Chloro-n-(2-hydroxyethyl)benzenesulfonamide
CID 286205
N-(4-Chlorophenylsulfonyl)-2-methylpropanamide
CID 12221599
N-(4-Chlorophenylsulfonyl)-2,2,2-trimethylacetamide
CID 47108731
4-chloro-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 684635
4-Chloro-N-(2-hydroxypropionyl)-benzenesulfonamide, O-methyl-
CID 47347573
4-Chloro-N-(2-hydroxypropionyl)-benzenesulfonamide, O-acetyl-
CID 91691714
N-(4-Chlorobenzenesulfonyl)-2-hydroxypropanamide, TBDMS derivative
CID 91696420
4-Chloro-N-(2-hydroxypropionyl)-benzenesulfonamide, N,O-di(trimethylsilyl)-
CID 91696565
4-Chloro-N-(2-hydroxypropionyl)-benzenesulfonamide, O-trimethylsilyl-
CID 91709813

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)sulfonyl-2-hydroxypropanamide?
The IUPAC name of N-(4-chlorophenyl)sulfonyl-2-hydroxypropanamide (CID 3823677) is N-(4-chlorophenyl)sulfonyl-2-hydroxypropanamide.
What is the SMILES notation for N-(4-chlorophenyl)sulfonyl-2-hydroxypropanamide?
The canonical SMILES for N-(4-chlorophenyl)sulfonyl-2-hydroxypropanamide is CC(O)C(=O)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)sulfonyl-2-hydroxypropanamide?
The InChIKey is YHRUVVJCYRHQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO4S/c1-6(12)9(13)11-16(14,15)8-4-2-7(10)3-5-8/h2-6,12H,1H3,(H,11,13).
What are the key properties of N-(4-chlorophenyl)sulfonyl-2-hydroxypropanamide?
N-(4-chlorophenyl)sulfonyl-2-hydroxypropanamide has a molecular weight of 263.70 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)sulfonyl-2-hydroxypropanamide is sourced from PubChem (CID 3823677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).