1-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)methanesulfonamide

C13H18ClNO3S — CID 90499382

IUPAC1-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)methanesulfonamide
SMILESCC(O)(CNS(=O)(=O)Cc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C13H18ClNO3S/c1-13(16,11-4-5-11)9-15-19(17,18)8-10-2-6-12(14)7-3-10/h2-3,6-7,11,15-16H,4-5,8-9H2,1H3
InChIKeyVFFKDDFXKITZOJ-UHFFFAOYSA-N
MW303.81 g/mol
LogP1.92
Rot. Bonds6

About 1-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)methanesulfonamide

1-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)methanesulfonamide (PubChem CID 90499382) has the molecular formula C13H18ClNO3S and a molecular weight of 303.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)methanesulfonamide
PubChem CID90499382
Molecular FormulaC13H18ClNO3S
Molecular Weight303.81 g/mol
Exact Mass303.07
IUPAC Name1-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)methanesulfonamide
SMILESCC(O)(CNS(=O)(=O)Cc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C13H18ClNO3S/c1-13(16,11-4-5-11)9-15-19(17,18)8-10-2-6-12(14)7-3-10/h2-3,6-7,11,15-16H,4-5,8-9H2,1H3
InChIKeyVFFKDDFXKITZOJ-UHFFFAOYSA-N
XLogP1.92
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-(4-fluorophenyl)methanesulfonamide
CID 52907137
N-(2-cyclopropyl-2-hydroxypropyl)-2,5-difluorobenzenesulfonamide
CID 90499360
N-(2-cyclopropyl-2-hydroxypropyl)benzenesulfonamide
CID 90499346
N-(2-cyclopropyl-2-hydroxypropyl)-4-fluoro-3-methylbenzenesulfonamide
CID 52992777
N-(2-cyclopropyl-2-hydroxypropyl)-4-fluorobenzenesulfonamide
CID 90499351
4-bromo-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]benzenesulfonamide
CID 94909084
1-(3-chlorophenyl)-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)methanesulfonamide
CID 90535524
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1-(4-fluorophenyl)methanesulfonamide
CID 90535501
N-butyl-1-(4-chlorophenyl)methanesulfonamide
CID 18891362
tert-butyl (2R)-2-[[(4-chlorophenyl)methylsulfonylamino]methyl]piperidine-1-carboxylate
CID 97173543
4-[[(4-chlorophenyl)methylsulfonylamino]methyl]piperidine-1-carboxylic acid
CID 174678128
N-(2-cyclopropyl-2-hydroxypropyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 90499413

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)methanesulfonamide (CID 90499382) is 1-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)methanesulfonamide is CC(O)(CNS(=O)(=O)Cc1ccc(Cl)cc1)C1CC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)methanesulfonamide?
The InChIKey is VFFKDDFXKITZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3S/c1-13(16,11-4-5-11)9-15-19(17,18)8-10-2-6-12(14)7-3-10/h2-3,6-7,11,15-16H,4-5,8-9H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)methanesulfonamide?
1-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)methanesulfonamide has a molecular weight of 303.81 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)methanesulfonamide is sourced from PubChem (CID 90499382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).