N-cyclohexyl-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide

C17H23N3O2S — CID 19681094

IUPACN-cyclohexyl-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
SMILESCc1nn(-c2ccccc2)c(C)c1S(=O)(=O)NC1CCCCC1
InChIInChI=1S/C17H23N3O2S/c1-13-17(23(21,22)19-15-9-5-3-6-10-15)14(2)20(18-13)16-11-7-4-8-12-16/h4,7-8,11-12,15,19H,3,5-6,9-10H2,1-2H3
InChIKeyVHQIXWWTJVKMPC-UHFFFAOYSA-N
MW333.46 g/mol
LogP3.10
Rot. Bonds4

About N-cyclohexyl-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide

N-cyclohexyl-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide (PubChem CID 19681094) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-cyclohexyl-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
PubChem CID19681094
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC NameN-cyclohexyl-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
SMILESCc1nn(-c2ccccc2)c(C)c1S(=O)(=O)NC1CCCCC1
InChIInChI=1S/C17H23N3O2S/c1-13-17(23(21,22)19-15-9-5-3-6-10-15)14(2)20(18-13)16-11-7-4-8-12-16/h4,7-8,11-12,15,19H,3,5-6,9-10H2,1-2H3
InChIKeyVHQIXWWTJVKMPC-UHFFFAOYSA-N
XLogP3.10
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylcyclohexyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22772410
3,5-dimethyl-N-(2-methylcyclohexyl)-1-phenylpyrazole-4-sulfonamide
CID 19681996
N-cycloheptyl-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 9268507
N-[(1R,5R,6S,7R)-6-amino-2-oxabicyclo[3.2.0]heptan-7-yl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 91768269
3,5-dimethyl-1-phenyl-N-prop-2-enylpyrazole-4-sulfonamide
CID 19681810
3,5-dimethyl-N-(5-methyl-2-pyridinyl)-1-phenylpyrazole-4-sulfonamide
CID 19683137
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzenesulfonamide
CID 972247
N-(4-fluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22773337
3,5-dimethyl-N-(2-methylbutan-2-yl)-1-phenylpyrazole-4-sulfonamide
CID 19682095
cis-(1R,2S)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-hydroxycyclohexane-1-sulfonamide
CID 95702971
3,5-dimethyl-N-(2-methylsulfanylphenyl)-1-phenylpyrazole-4-sulfonamide
CID 22775217
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22202650

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide?
The IUPAC name of N-cyclohexyl-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide (CID 19681094) is N-cyclohexyl-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for N-cyclohexyl-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide?
The canonical SMILES for N-cyclohexyl-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide is Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide?
The InChIKey is VHQIXWWTJVKMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-13-17(23(21,22)19-15-9-5-3-6-10-15)14(2)20(18-13)16-11-7-4-8-12-16/h4,7-8,11-12,15,19H,3,5-6,9-10H2,1-2H3.
What are the key properties of N-cyclohexyl-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide?
N-cyclohexyl-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide has a molecular weight of 333.46 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 19681094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).