N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-sulfamoylbenzamide

C16H21N5O3S — CID 77092303

IUPACN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(C(=O)NCc2nncn2C2CCCCC2)cc1
InChIInChI=1S/C16H21N5O3S/c17-25(23,24)14-8-6-12(7-9-14)16(22)18-10-15-20-19-11-21(15)13-4-2-1-3-5-13/h6-9,11,13H,1-5,10H2,(H,18,22)(H2,17,23,24)
InChIKeyNPLXEWAPLMSZGL-UHFFFAOYSA-N
MW363.44 g/mol
LogP1.36
Rot. Bonds5

About N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-sulfamoylbenzamide

N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-sulfamoylbenzamide (PubChem CID 77092303) has the molecular formula C16H21N5O3S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-sulfamoylbenzamide
PubChem CID77092303
Molecular FormulaC16H21N5O3S
Molecular Weight363.44 g/mol
Exact Mass363.14
IUPAC NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(C(=O)NCc2nncn2C2CCCCC2)cc1
InChIInChI=1S/C16H21N5O3S/c17-25(23,24)14-8-6-12(7-9-14)16(22)18-10-15-20-19-11-21(15)13-4-2-1-3-5-13/h6-9,11,13H,1-5,10H2,(H,18,22)(H2,17,23,24)
InChIKeyNPLXEWAPLMSZGL-UHFFFAOYSA-N
XLogP1.36
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-sulfamoylbenzamide 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-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]tetrazolo[1,5-a]pyridine-6-carboxamide
CID 131951388
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 90650095
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-[(3S)-piperidin-3-yl]benzamide
CID 97193467
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-(methanesulfonamido)propanamide
CID 91843426
(2S)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 118762204
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-(1-ethylpyrazol-4-yl)benzamide
CID 169414310
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridine-6-carboxamide
CID 176505585
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2,3-difluoro-6-methoxybenzamide
CID 91794017
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 70784422
N-(cyclobutylmethyl)-4-sulfamoylbenzamide
CID 43298916
3-[(4-cyclohexyl-1,2,4-triazol-3-yl)methylsulfamoyl]-4-methylbenzoic acid
CID 131918632
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 90647930

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-sulfamoylbenzamide?
The IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-sulfamoylbenzamide (CID 77092303) is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-sulfamoylbenzamide.
What is the SMILES notation for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-sulfamoylbenzamide?
The canonical SMILES for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-sulfamoylbenzamide is NS(=O)(=O)c1ccc(C(=O)NCc2nncn2C2CCCCC2)cc1.
What is the InChIKey of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-sulfamoylbenzamide?
The InChIKey is NPLXEWAPLMSZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3S/c17-25(23,24)14-8-6-12(7-9-14)16(22)18-10-15-20-19-11-21(15)13-4-2-1-3-5-13/h6-9,11,13H,1-5,10H2,(H,18,22)(H2,17,23,24).
What are the key properties of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-sulfamoylbenzamide?
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-sulfamoylbenzamide has a molecular weight of 363.44 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-sulfamoylbenzamide is sourced from PubChem (CID 77092303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).