2-chloro-N-[(2R)-3-hydroxy-2-methylpropyl]benzenesulfonamide

C10H14ClNO3S — CID 96832457

IUPAC2-chloro-N-[(2R)-3-hydroxy-2-methylpropyl]benzenesulfonamide
SMILESC[C@@H](CO)CNS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C10H14ClNO3S/c1-8(7-13)6-12-16(14,15)10-5-3-2-4-9(10)11/h2-5,8,12-13H,6-7H2,1H3/t8-/m1/s1
InChIKeyKVELCIBHGAWPIV-MRVPVSSYSA-N
MW263.75 g/mol
LogP1.25
Rot. Bonds5

About 2-chloro-N-[(2R)-3-hydroxy-2-methylpropyl]benzenesulfonamide

2-chloro-N-[(2R)-3-hydroxy-2-methylpropyl]benzenesulfonamide (PubChem CID 96832457) has the molecular formula C10H14ClNO3S and a molecular weight of 263.75 g/mol. Its IUPAC name is 2-chloro-N-[(2R)-3-hydroxy-2-methylpropyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(2R)-3-hydroxy-2-methylpropyl]benzenesulfonamide
PubChem CID96832457
Molecular FormulaC10H14ClNO3S
Molecular Weight263.75 g/mol
Exact Mass263.04
IUPAC Name2-chloro-N-[(2R)-3-hydroxy-2-methylpropyl]benzenesulfonamide
SMILESC[C@@H](CO)CNS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C10H14ClNO3S/c1-8(7-13)6-12-16(14,15)10-5-3-2-4-9(10)11/h2-5,8,12-13H,6-7H2,1H3/t8-/m1/s1
InChIKeyKVELCIBHGAWPIV-MRVPVSSYSA-N
XLogP1.25
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(2S)-3-hydroxy-2-methylpropyl]benzenesulfonamide
CID 96832456
(2S)-3-[(2-chlorophenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 104935868
2,3-dichloro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 83030309
2-chloro-N-(3-hydroxy-4,4-dimethylpentyl)benzenesulfonamide
CID 90523486
2-chloro-N-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]benzenesulfonamide
CID 97325974
2-chloro-N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide
CID 112506805
5-chloro-2-cyano-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65034730
8-chloro-N-(2-methylbutyl)naphthalene-1-sulfonamide
CID 25036817
N-butan-2-yl-2-[(2-chlorophenyl)sulfonylamino]acetamide
CID 112990861
N-(3-hydroxy-2-methylpropyl)-2-phenylpropane-1-sulfonamide
CID 80686189
2-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide
CID 112502530
2-chloro-N-[(2S)-3-ethyl-1-hydroxypentan-2-yl]benzenesulfonamide
CID 69464437

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2R)-3-hydroxy-2-methylpropyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[(2R)-3-hydroxy-2-methylpropyl]benzenesulfonamide (CID 96832457) is 2-chloro-N-[(2R)-3-hydroxy-2-methylpropyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[(2R)-3-hydroxy-2-methylpropyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[(2R)-3-hydroxy-2-methylpropyl]benzenesulfonamide is C[C@@H](CO)CNS(=O)(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(2R)-3-hydroxy-2-methylpropyl]benzenesulfonamide?
The InChIKey is KVELCIBHGAWPIV-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14ClNO3S/c1-8(7-13)6-12-16(14,15)10-5-3-2-4-9(10)11/h2-5,8,12-13H,6-7H2,1H3/t8-/m1/s1.
What are the key properties of 2-chloro-N-[(2R)-3-hydroxy-2-methylpropyl]benzenesulfonamide?
2-chloro-N-[(2R)-3-hydroxy-2-methylpropyl]benzenesulfonamide has a molecular weight of 263.75 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2R)-3-hydroxy-2-methylpropyl]benzenesulfonamide is sourced from PubChem (CID 96832457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).