N-[2-(aminomethyl)cyclohexyl]-1-phenylpyrazole-4-sulfonamide

C16H22N4O2S — CID 119986497

IUPACN-[2-(aminomethyl)cyclohexyl]-1-phenylpyrazole-4-sulfonamide
SMILESNCC1CCCCC1NS(=O)(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H22N4O2S/c17-10-13-6-4-5-9-16(13)19-23(21,22)15-11-18-20(12-15)14-7-2-1-3-8-14/h1-3,7-8,11-13,16,19H,4-6,9-10,17H2
InChIKeyMBRPDASJMVGAJR-UHFFFAOYSA-N
MW334.44 g/mol
LogP1.67
Rot. Bonds5

About N-[2-(aminomethyl)cyclohexyl]-1-phenylpyrazole-4-sulfonamide

N-[2-(aminomethyl)cyclohexyl]-1-phenylpyrazole-4-sulfonamide (PubChem CID 119986497) has the molecular formula C16H22N4O2S and a molecular weight of 334.44 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-1-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-1-phenylpyrazole-4-sulfonamide
PubChem CID119986497
Molecular FormulaC16H22N4O2S
Molecular Weight334.44 g/mol
Exact Mass334.15
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-1-phenylpyrazole-4-sulfonamide
SMILESNCC1CCCCC1NS(=O)(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H22N4O2S/c17-10-13-6-4-5-9-16(13)19-23(21,22)15-11-18-20(12-15)14-7-2-1-3-8-14/h1-3,7-8,11-13,16,19H,4-6,9-10,17H2
InChIKeyMBRPDASJMVGAJR-UHFFFAOYSA-N
XLogP1.67
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-1-phenylpyrazole-4-sulfonamide
CID 47439844
N-[(1R,2R)-2-(aminomethyl)cyclohexyl]-1-(oxan-4-yl)pyrazole-4-sulfonamide
CID 124702095
1-phenyl-N-[(1R,2R)-2-phenylcyclopropyl]pyrazole-4-sulfonamide
CID 95259394
N-(2-amino-1-cyclopropylethyl)-1-phenylpyrazole-4-sulfonamide
CID 119987043
N-[2-(chloromethyl)cyclohexyl]benzenesulfonamide
CID 114179811
N-[2-(aminomethyl)cyclopentyl]-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide;hydrochloride
CID 120711102
N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide
CID 119986182
[1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969606
N-[2-(aminomethyl)cyclohexyl]-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 120711162
N-[2-(aminomethyl)cyclohexyl]-4-chlorobenzenesulfonamide;hydrochloride
CID 119986050
[(3R,4R)-4-phenyl-1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine
CID 120766302
N-[2-(aminomethyl)cyclohexyl]-3-ethylsulfonylbenzenesulfonamide
CID 119986184

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-1-phenylpyrazole-4-sulfonamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-1-phenylpyrazole-4-sulfonamide (CID 119986497) is N-[2-(aminomethyl)cyclohexyl]-1-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-1-phenylpyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-1-phenylpyrazole-4-sulfonamide is NCC1CCCCC1NS(=O)(=O)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-1-phenylpyrazole-4-sulfonamide?
The InChIKey is MBRPDASJMVGAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c17-10-13-6-4-5-9-16(13)19-23(21,22)15-11-18-20(12-15)14-7-2-1-3-8-14/h1-3,7-8,11-13,16,19H,4-6,9-10,17H2.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-1-phenylpyrazole-4-sulfonamide?
N-[2-(aminomethyl)cyclohexyl]-1-phenylpyrazole-4-sulfonamide has a molecular weight of 334.44 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-1-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 119986497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).