N-(2-cyclopropyl-2-hydroxypropyl)benzenesulfonamide

C12H17NO3S — CID 90499346

IUPACN-(2-cyclopropyl-2-hydroxypropyl)benzenesulfonamide
SMILESCC(O)(CNS(=O)(=O)c1ccccc1)C1CC1
InChIInChI=1S/C12H17NO3S/c1-12(14,10-7-8-10)9-13-17(15,16)11-5-3-2-4-6-11/h2-6,10,13-14H,7-9H2,1H3
InChIKeyQOPCFXMBCMCPKI-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.13
Rot. Bonds5

About N-(2-cyclopropyl-2-hydroxypropyl)benzenesulfonamide

N-(2-cyclopropyl-2-hydroxypropyl)benzenesulfonamide (PubChem CID 90499346) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxypropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxypropyl)benzenesulfonamide
PubChem CID90499346
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC NameN-(2-cyclopropyl-2-hydroxypropyl)benzenesulfonamide
SMILESCC(O)(CNS(=O)(=O)c1ccccc1)C1CC1
InChIInChI=1S/C12H17NO3S/c1-12(14,10-7-8-10)9-13-17(15,16)11-5-3-2-4-6-11/h2-6,10,13-14H,7-9H2,1H3
InChIKeyQOPCFXMBCMCPKI-UHFFFAOYSA-N
XLogP1.13
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclopropyl-2-hydroxypropyl)-4-fluorobenzenesulfonamide
CID 90499351
4-bromo-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]benzenesulfonamide
CID 94909084
N-(2-cyclopropyl-2-hydroxypropyl)-3-methoxybenzenesulfonamide
CID 90499355
N-(2-cyclopropyl-2-hydroxypropyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 90499413
N-(2-cyclopropyl-2-hydroxypropyl)-4-fluoro-3-methylbenzenesulfonamide
CID 52992777
3-(benzenesulfonyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]propanamide
CID 94909077
N-(2-cyclopropyl-2-hydroxypropyl)-2,5-difluorobenzenesulfonamide
CID 90499360
N-(3-hydroxy-2,2-dimethylpropyl)benzenesulfonamide
CID 115362987
N-(2-amino-2-methylpropyl)benzenesulfonamide;hydrochloride
CID 90081725
4-acetyl-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)benzenesulfonamide
CID 71788808
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-3-methylbenzenesulfonamide
CID 71788797
N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-3-methylbenzenesulfonamide
CID 95379479

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxypropyl)benzenesulfonamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxypropyl)benzenesulfonamide (CID 90499346) is N-(2-cyclopropyl-2-hydroxypropyl)benzenesulfonamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxypropyl)benzenesulfonamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxypropyl)benzenesulfonamide is CC(O)(CNS(=O)(=O)c1ccccc1)C1CC1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxypropyl)benzenesulfonamide?
The InChIKey is QOPCFXMBCMCPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-12(14,10-7-8-10)9-13-17(15,16)11-5-3-2-4-6-11/h2-6,10,13-14H,7-9H2,1H3.
What are the key properties of N-(2-cyclopropyl-2-hydroxypropyl)benzenesulfonamide?
N-(2-cyclopropyl-2-hydroxypropyl)benzenesulfonamide has a molecular weight of 255.34 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxypropyl)benzenesulfonamide is sourced from PubChem (CID 90499346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).