4-[cyclohexyl(methyl)sulfamoyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide

C21H24N4O3S2 — CID 60551556

IUPAC4-[cyclohexyl(methyl)sulfamoyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2cc(-c3cccs3)[nH]n2)cc1
InChIInChI=1S/C21H24N4O3S2/c1-25(16-6-3-2-4-7-16)30(27,28)17-11-9-15(10-12-17)21(26)22-20-14-18(23-24-20)19-8-5-13-29-19/h5,8-14,16H,2-4,6-7H2,1H3,(H2,22,23,24,26)
InChIKeyUOVUBASFGAFBHN-UHFFFAOYSA-N
MW444.58 g/mol
LogP4.34
Rot. Bonds6

About 4-[cyclohexyl(methyl)sulfamoyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide

4-[cyclohexyl(methyl)sulfamoyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide (PubChem CID 60551556) has the molecular formula C21H24N4O3S2 and a molecular weight of 444.58 g/mol. Its IUPAC name is 4-[cyclohexyl(methyl)sulfamoyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-[cyclohexyl(methyl)sulfamoyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide
PubChem CID60551556
Molecular FormulaC21H24N4O3S2
Molecular Weight444.58 g/mol
Exact Mass444.13
IUPAC Name4-[cyclohexyl(methyl)sulfamoyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2cc(-c3cccs3)[nH]n2)cc1
InChIInChI=1S/C21H24N4O3S2/c1-25(16-6-3-2-4-7-16)30(27,28)17-11-9-15(10-12-17)21(26)22-20-14-18(23-24-20)19-8-5-13-29-19/h5,8-14,16H,2-4,6-7H2,1H3,(H2,22,23,24,26)
InChIKeyUOVUBASFGAFBHN-UHFFFAOYSA-N
XLogP4.34
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[cyclohexyl(methyl)sulfamoyl]-N-(2-thiophen-2-ylphenyl)benzamide
CID 55469203
4-(dimethylamino)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide
CID 52719488
4-[cyclopentyl(methyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide
CID 7656045
4-[cyclopentyl(methyl)sulfamoyl]-N-phenylbenzamide
CID 7656046
2-methyl-1-methylsulfonyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-2,3-dihydroindole-5-carboxamide
CID 55977225
4-[cyclohexyl(methyl)sulfamoyl]-N-(1-thiophen-2-ylpropyl)benzamide
CID 55908392
4-(2-oxopyrrolidin-1-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide
CID 60551651
4-[cyclohexyl(methyl)sulfamoyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 4099174
N-(3-cyanothiophen-2-yl)-4-[cyclopentyl(methyl)sulfamoyl]benzamide
CID 7656091
4-[cyclopentyl(methyl)sulfamoyl]-N-(4-fluorophenyl)benzamide
CID 7656086
methyl N-[2-[[4-[cyclopentyl(methyl)sulfamoyl]benzoyl]amino]thiophene-3-carbonyl]carbamate
CID 43947365
N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(dimethylsulfamoyl)benzamide
CID 47078487

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(methyl)sulfamoyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 4-[cyclohexyl(methyl)sulfamoyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide (CID 60551556) is 4-[cyclohexyl(methyl)sulfamoyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 4-[cyclohexyl(methyl)sulfamoyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 4-[cyclohexyl(methyl)sulfamoyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide is CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2cc(-c3cccs3)[nH]n2)cc1.
What is the InChIKey of 4-[cyclohexyl(methyl)sulfamoyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide?
The InChIKey is UOVUBASFGAFBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S2/c1-25(16-6-3-2-4-7-16)30(27,28)17-11-9-15(10-12-17)21(26)22-20-14-18(23-24-20)19-8-5-13-29-19/h5,8-14,16H,2-4,6-7H2,1H3,(H2,22,23,24,26).
What are the key properties of 4-[cyclohexyl(methyl)sulfamoyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide?
4-[cyclohexyl(methyl)sulfamoyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide has a molecular weight of 444.58 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(methyl)sulfamoyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 60551556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).