2-chloro-N-(2-cyclopropylpropan-2-yl)-5-(hydroxymethyl)benzenesulfonamide

C13H18ClNO3S — CID 106001141

IUPAC2-chloro-N-(2-cyclopropylpropan-2-yl)-5-(hydroxymethyl)benzenesulfonamide
SMILESCC(C)(NS(=O)(=O)c1cc(CO)ccc1Cl)C1CC1
InChIInChI=1S/C13H18ClNO3S/c1-13(2,10-4-5-10)15-19(17,18)12-7-9(8-16)3-6-11(12)14/h3,6-7,10,15-16H,4-5,8H2,1-2H3
InChIKeyHVTJSBUFJHZIOH-UHFFFAOYSA-N
MW303.81 g/mol
LogP2.30
Rot. Bonds5

About 2-chloro-N-(2-cyclopropylpropan-2-yl)-5-(hydroxymethyl)benzenesulfonamide

2-chloro-N-(2-cyclopropylpropan-2-yl)-5-(hydroxymethyl)benzenesulfonamide (PubChem CID 106001141) has the molecular formula C13H18ClNO3S and a molecular weight of 303.81 g/mol. Its IUPAC name is 2-chloro-N-(2-cyclopropylpropan-2-yl)-5-(hydroxymethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-cyclopropylpropan-2-yl)-5-(hydroxymethyl)benzenesulfonamide
PubChem CID106001141
Molecular FormulaC13H18ClNO3S
Molecular Weight303.81 g/mol
Exact Mass303.07
IUPAC Name2-chloro-N-(2-cyclopropylpropan-2-yl)-5-(hydroxymethyl)benzenesulfonamide
SMILESCC(C)(NS(=O)(=O)c1cc(CO)ccc1Cl)C1CC1
InChIInChI=1S/C13H18ClNO3S/c1-13(2,10-4-5-10)15-19(17,18)12-7-9(8-16)3-6-11(12)14/h3,6-7,10,15-16H,4-5,8H2,1-2H3
InChIKeyHVTJSBUFJHZIOH-UHFFFAOYSA-N
XLogP2.30
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-(2-cyclopropylpropan-2-yl)-5-(hydroxymethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyclopropylpropan-2-yl)-5-(hydroxymethyl)pyridine-2-sulfonamide
CID 106001152
2-chloro-5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide
CID 106000943
2-chloro-N-(2-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)benzenesulfonamide
CID 106002315
5-(aminomethyl)-N-(2-cyclopropylpropan-2-yl)-2-methoxybenzenesulfonamide
CID 106091059
2-chloro-5-(hydroxymethyl)-N-(4,4,4-trifluorobutyl)benzenesulfonamide
CID 115522640
2-chloro-5-(hydroxymethyl)-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide
CID 106001069
2-chloro-5-ethyl-N-(2-methylpentan-2-yl)benzenesulfonamide
CID 167068186
5-(aminomethyl)-2-chloro-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031342
[4-chloro-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]methanol
CID 104961448
2,5-dichloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzenesulfonamide
CID 107848386
2-bromo-N-(2-cyclopropylpropan-2-yl)benzenesulfonamide
CID 103697721
N-(2-cyclopropylpropan-2-yl)-2-fluorobenzenesulfonamide
CID 103697710

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-cyclopropylpropan-2-yl)-5-(hydroxymethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(2-cyclopropylpropan-2-yl)-5-(hydroxymethyl)benzenesulfonamide (CID 106001141) is 2-chloro-N-(2-cyclopropylpropan-2-yl)-5-(hydroxymethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(2-cyclopropylpropan-2-yl)-5-(hydroxymethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(2-cyclopropylpropan-2-yl)-5-(hydroxymethyl)benzenesulfonamide is CC(C)(NS(=O)(=O)c1cc(CO)ccc1Cl)C1CC1.
What is the InChIKey of 2-chloro-N-(2-cyclopropylpropan-2-yl)-5-(hydroxymethyl)benzenesulfonamide?
The InChIKey is HVTJSBUFJHZIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3S/c1-13(2,10-4-5-10)15-19(17,18)12-7-9(8-16)3-6-11(12)14/h3,6-7,10,15-16H,4-5,8H2,1-2H3.
What are the key properties of 2-chloro-N-(2-cyclopropylpropan-2-yl)-5-(hydroxymethyl)benzenesulfonamide?
2-chloro-N-(2-cyclopropylpropan-2-yl)-5-(hydroxymethyl)benzenesulfonamide has a molecular weight of 303.81 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-cyclopropylpropan-2-yl)-5-(hydroxymethyl)benzenesulfonamide is sourced from PubChem (CID 106001141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).