N-[(1R,2R)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide

C12H17NO3S — CID 11230584

IUPACN-[(1R,2R)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2O)cc1
InChIInChI=1S/C12H17NO3S/c1-9-5-7-10(8-6-9)17(15,16)13-11-3-2-4-12(11)14/h5-8,11-14H,2-4H2,1H3/t11-,12-/m1/s1
InChIKeyPJVVJWHZPJRXPW-VXGBXAGGSA-N
MW255.34 g/mol
LogP1.19
Rot. Bonds3

About N-[(1R,2R)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide

N-[(1R,2R)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide (PubChem CID 11230584) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide
PubChem CID11230584
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC NameN-[(1R,2R)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2O)cc1
InChIInChI=1S/C12H17NO3S/c1-9-5-7-10(8-6-9)17(15,16)13-11-3-2-4-12(11)14/h5-8,11-14H,2-4H2,1H3/t11-,12-/m1/s1
InChIKeyPJVVJWHZPJRXPW-VXGBXAGGSA-N
XLogP1.19
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1R,2R)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide 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-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-4-methylbenzenesulfonamide
CID 110125809
4-fluoro-N-[(1S,2S)-2-hydroxycyclopentyl]benzenesulfonamide
CID 40650403
N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylsulfonylbenzenesulfonamide
CID 104953140
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-4-methylbenzenesulfonamide
CID 5247563
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-methylbenzenesulfonamide
CID 7728447
1-[(1R,2S)-2-hydroxycyclopentyl]-3-(4-methylphenyl)sulfonylurea
CID 40596528
N-[(1S,2R)-2-bromocyclohexyl]-4-methylbenzenesulfonamide
CID 134933905
4-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 11097522
N-[2-(bromomethyl)cyclopentyl]-4-methylbenzenesulfonamide
CID 106367542
N-(2-fluorocyclohexyl)-4-methylbenzenesulfonamide
CID 85434978
4-methyl-N-[(1R,2R)-2-sulfanylcyclohexyl]benzenesulfonamide
CID 25140124
N-[(1R,2S)-2-cyanocyclopentyl]-4-methylbenzenesulfonamide
CID 101252932

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(1R,2R)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide (CID 11230584) is N-[(1R,2R)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2O)cc1.
What is the InChIKey of N-[(1R,2R)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide?
The InChIKey is PJVVJWHZPJRXPW-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-9-5-7-10(8-6-9)17(15,16)13-11-3-2-4-12(11)14/h5-8,11-14H,2-4H2,1H3/t11-,12-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide?
N-[(1R,2R)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide has a molecular weight of 255.34 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 11230584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).