N-(1-benzyl-1,2,4-triazol-3-yl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide

C23H27N5O3S — CID 55857423

IUPACN-(1-benzyl-1,2,4-triazol-3-yl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)Nc2ncn(Cc3ccccc3)n2)c1
InChIInChI=1S/C23H27N5O3S/c1-27(20-12-6-3-7-13-20)32(30,31)21-14-8-11-19(15-21)22(29)25-23-24-17-28(26-23)16-18-9-4-2-5-10-18/h2,4-5,8-11,14-15,17,20H,3,6-7,12-13,16H2,1H3,(H,25,26,29)
InChIKeyCMENDDREWMYPJF-UHFFFAOYSA-N
MW453.57 g/mol
LogP3.53
Rot. Bonds7

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

N-(1-benzyl-1,2,4-triazol-3-yl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide (PubChem CID 55857423) has the molecular formula C23H27N5O3S and a molecular weight of 453.57 g/mol. Its IUPAC name is N-(1-benzyl-1,2,4-triazol-3-yl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(1-benzyl-1,2,4-triazol-3-yl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide
PubChem CID55857423
Molecular FormulaC23H27N5O3S
Molecular Weight453.57 g/mol
Exact Mass453.18
IUPAC NameN-(1-benzyl-1,2,4-triazol-3-yl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)Nc2ncn(Cc3ccccc3)n2)c1
InChIInChI=1S/C23H27N5O3S/c1-27(20-12-6-3-7-13-20)32(30,31)21-14-8-11-19(15-21)22(29)25-23-24-17-28(26-23)16-18-9-4-2-5-10-18/h2,4-5,8-11,14-15,17,20H,3,6-7,12-13,16H2,1H3,(H,25,26,29)
InChIKeyCMENDDREWMYPJF-UHFFFAOYSA-N
XLogP3.53
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.57
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorophenyl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 2666126
N-(2-benzyl-5-methylpyrazol-3-yl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 43052469
N-(1-benzyl-1,2,4-triazol-3-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 55856009
3-[cyclohexyl(methyl)sulfamoyl]-N-[2-[2-(diethylamino)ethoxy]phenyl]benzamide
CID 55528915
3-[cyclopentyl(methyl)sulfamoyl]benzoic acid
CID 43213252
N-(6-amino-3-pyridinyl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide;hydrochloride
CID 119515813
3-[cyclohexyl(methyl)sulfamoyl]-N-ethoxybenzamide
CID 43048017
3-[cyclohexyl(methyl)sulfamoyl]-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 55377924
3-[[3-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-2-methylpropanoic acid
CID 120687513
(2S)-2-[[3-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-3-methylbutanoic acid
CID 9291692
N-(5-chloro-2-hydroxyphenyl)-3-[cyclopentyl(methyl)sulfamoyl]benzamide
CID 118695528
3-[benzyl(methyl)sulfamoyl]-N-cyclohexylbenzamide
CID 109063417

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-1,2,4-triazol-3-yl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide?
The IUPAC name of N-(1-benzyl-1,2,4-triazol-3-yl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide (CID 55857423) is N-(1-benzyl-1,2,4-triazol-3-yl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(1-benzyl-1,2,4-triazol-3-yl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide?
The canonical SMILES for N-(1-benzyl-1,2,4-triazol-3-yl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide is CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)Nc2ncn(Cc3ccccc3)n2)c1.
What is the InChIKey of N-(1-benzyl-1,2,4-triazol-3-yl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide?
The InChIKey is CMENDDREWMYPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3S/c1-27(20-12-6-3-7-13-20)32(30,31)21-14-8-11-19(15-21)22(29)25-23-24-17-28(26-23)16-18-9-4-2-5-10-18/h2,4-5,8-11,14-15,17,20H,3,6-7,12-13,16H2,1H3,(H,25,26,29).
What are the key properties of N-(1-benzyl-1,2,4-triazol-3-yl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide?
N-(1-benzyl-1,2,4-triazol-3-yl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide has a molecular weight of 453.57 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-1,2,4-triazol-3-yl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide is sourced from PubChem (CID 55857423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).