4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(triazol-1-yl)phenyl]benzamide

C22H25N5O3S — CID 112827708

IUPAC4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(triazol-1-yl)phenyl]benzamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2-n2ccnn2)cc1
InChIInChI=1S/C22H25N5O3S/c1-26(18-7-3-2-4-8-18)31(29,30)19-13-11-17(12-14-19)22(28)24-20-9-5-6-10-21(20)27-16-15-23-25-27/h5-6,9-16,18H,2-4,7-8H2,1H3,(H,24,28)
InChIKeyHYONTZQVZRZROU-UHFFFAOYSA-N
MW439.54 g/mol
LogP3.47
Rot. Bonds6

About 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(triazol-1-yl)phenyl]benzamide

4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(triazol-1-yl)phenyl]benzamide (PubChem CID 112827708) has the molecular formula C22H25N5O3S and a molecular weight of 439.54 g/mol. Its IUPAC name is 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(triazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(triazol-1-yl)phenyl]benzamide
PubChem CID112827708
Molecular FormulaC22H25N5O3S
Molecular Weight439.54 g/mol
Exact Mass439.17
IUPAC Name4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(triazol-1-yl)phenyl]benzamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2-n2ccnn2)cc1
InChIInChI=1S/C22H25N5O3S/c1-26(18-7-3-2-4-8-18)31(29,30)19-13-11-17(12-14-19)22(28)24-20-9-5-6-10-21(20)27-16-15-23-25-27/h5-6,9-16,18H,2-4,7-8H2,1H3,(H,24,28)
InChIKeyHYONTZQVZRZROU-UHFFFAOYSA-N
XLogP3.47
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(triazol-1-yl)phenyl]benzamide 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

4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(triazol-1-yl)phenyl]benzamide
CID 112835248
4-[cyclopentyl(methyl)sulfamoyl]-N-naphthalen-1-ylbenzamide
CID 7656072
4-[cyclopentyl(methyl)sulfamoyl]-N-phenylbenzamide
CID 7656046
4-[cyclohexyl(methyl)sulfamoyl]-N-(2-thiophen-2-ylphenyl)benzamide
CID 55469203
N-(2-chlorophenyl)-4-[cyclopropyl(methyl)sulfamoyl]benzamide
CID 41364040
2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N-prop-2-enylbenzamide
CID 26706774
N-cyclohexyl-N-methyl-4-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide
CID 9033321
4-[cyclopentyl(methyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide
CID 7656045
N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-[cyclopentyl(methyl)sulfamoyl]benzamide
CID 16831200
4-[cyclohexyl(methyl)sulfamoyl]-N-(5-fluoro-2-methylphenyl)benzamide
CID 60616670
N-(2-benzoyl-4-bromophenyl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 23847974
4-chloro-3-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N,N-dimethylbenzamide
CID 43071932

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(triazol-1-yl)phenyl]benzamide?
The IUPAC name of 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(triazol-1-yl)phenyl]benzamide (CID 112827708) is 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(triazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(triazol-1-yl)phenyl]benzamide?
The canonical SMILES for 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(triazol-1-yl)phenyl]benzamide is CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2-n2ccnn2)cc1.
What is the InChIKey of 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(triazol-1-yl)phenyl]benzamide?
The InChIKey is HYONTZQVZRZROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3S/c1-26(18-7-3-2-4-8-18)31(29,30)19-13-11-17(12-14-19)22(28)24-20-9-5-6-10-21(20)27-16-15-23-25-27/h5-6,9-16,18H,2-4,7-8H2,1H3,(H,24,28).
What are the key properties of 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(triazol-1-yl)phenyl]benzamide?
4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(triazol-1-yl)phenyl]benzamide has a molecular weight of 439.54 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(triazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 112827708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).