cis-(1R,2S)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-hydroxycyclohexane-1-sulfonamide

C17H23N3O3S — CID 95702971

IUPACcis-(1R,2S)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-hydroxycyclohexane-1-sulfonamide
SMILESCc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C17H23N3O3S/c1-12-17(13(2)20(18-12)14-8-4-3-5-9-14)19-24(22,23)16-11-7-6-10-15(16)21/h3-5,8-9,15-16,19,21H,6-7,10-11H2,1-2H3/t15-,16+/m0/s1
InChIKeyMBEQGQCEDJMGMB-JKSUJKDBSA-N
MW349.46 g/mol
LogP2.53
Rot. Bonds4

About cis-(1R,2S)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-hydroxycyclohexane-1-sulfonamide

cis-(1R,2S)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-hydroxycyclohexane-1-sulfonamide (PubChem CID 95702971) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is cis-(1R,2S)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-hydroxycyclohexane-1-sulfonamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-hydroxycyclohexane-1-sulfonamide
PubChem CID95702971
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Namecis-(1R,2S)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-hydroxycyclohexane-1-sulfonamide
SMILESCc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C17H23N3O3S/c1-12-17(13(2)20(18-12)14-8-4-3-5-9-14)19-24(22,23)16-11-7-6-10-15(16)21/h3-5,8-9,15-16,19,21H,6-7,10-11H2,1-2H3/t15-,16+/m0/s1
InChIKeyMBEQGQCEDJMGMB-JKSUJKDBSA-N
XLogP2.53
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze cis-(1R,2S)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-hydroxycyclohexane-1-sulfonamide 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-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzenesulfonamide
CID 972247
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-methoxybenzenesulfonamide
CID 51284216
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]benzenesulfonamide
CID 25342658
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-ethylbenzenesulfonamide
CID 99165832
N-cyclohexyl-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 19681094
3,5-dimethyl-N-(2-methylcyclohexyl)-1-phenylpyrazole-4-sulfonamide
CID 19681996
N-cycloheptyl-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 9268507
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 17490159
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)oxane-4-carboxamide
CID 51279535
1-tert-butyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,5-dimethylpyrazole-4-sulfonamide
CID 86934783
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperidine-3-carboxamide
CID 119275721
2,4-dichloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-methylbenzenesulfonamide
CID 166336393

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-hydroxycyclohexane-1-sulfonamide?
The IUPAC name of cis-(1R,2S)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-hydroxycyclohexane-1-sulfonamide (CID 95702971) is cis-(1R,2S)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-hydroxycyclohexane-1-sulfonamide.
What is the SMILES notation for cis-(1R,2S)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-hydroxycyclohexane-1-sulfonamide?
The canonical SMILES for cis-(1R,2S)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-hydroxycyclohexane-1-sulfonamide is Cc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)[C@@H]1CCCC[C@@H]1O.
What is the InChIKey of cis-(1R,2S)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-hydroxycyclohexane-1-sulfonamide?
The InChIKey is MBEQGQCEDJMGMB-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-12-17(13(2)20(18-12)14-8-4-3-5-9-14)19-24(22,23)16-11-7-6-10-15(16)21/h3-5,8-9,15-16,19,21H,6-7,10-11H2,1-2H3/t15-,16+/m0/s1.
What are the key properties of cis-(1R,2S)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-hydroxycyclohexane-1-sulfonamide?
cis-(1R,2S)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-hydroxycyclohexane-1-sulfonamide has a molecular weight of 349.46 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-hydroxycyclohexane-1-sulfonamide is sourced from PubChem (CID 95702971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).