N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-(methylsulfamoyl)benzamide

C18H24N4O3S — CID 47060223

IUPACN-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(C(=O)Nc2cc(CC3CCCCC3)[nH]n2)cc1
InChIInChI=1S/C18H24N4O3S/c1-19-26(24,25)16-9-7-14(8-10-16)18(23)20-17-12-15(21-22-17)11-13-5-3-2-4-6-13/h7-10,12-13,19H,2-6,11H2,1H3,(H2,20,21,22,23)
InChIKeyQPFGZBSSTYZDNP-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.69
Rot. Bonds6

About N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-(methylsulfamoyl)benzamide

N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-(methylsulfamoyl)benzamide (PubChem CID 47060223) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-(methylsulfamoyl)benzamide
PubChem CID47060223
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC NameN-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(C(=O)Nc2cc(CC3CCCCC3)[nH]n2)cc1
InChIInChI=1S/C18H24N4O3S/c1-19-26(24,25)16-9-7-14(8-10-16)18(23)20-17-12-15(21-22-17)11-13-5-3-2-4-6-13/h7-10,12-13,19H,2-6,11H2,1H3,(H2,20,21,22,23)
InChIKeyQPFGZBSSTYZDNP-UHFFFAOYSA-N
XLogP2.69
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-[3-(methylsulfamoyl)phenyl]urea
CID 126767720
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]propanamide
CID 56553247
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 56552832
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 126770556
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(difluoromethoxy)-4-methoxybenzamide
CID 56553284
5-acetamido-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-methylbenzamide
CID 126779463
N-[4-[[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]amino]-4-oxobutyl]-4-fluorobenzamide
CID 56553027
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2,5-difluorobenzamide
CID 56552988
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
CID 56826864
N-(5-methyl-1H-pyrazol-3-yl)-4-(propan-2-ylsulfamoyl)benzamide
CID 47038582
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 127277358
2-bromo-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-fluorobenzamide
CID 55863420

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-(methylsulfamoyl)benzamide?
The IUPAC name of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-(methylsulfamoyl)benzamide (CID 47060223) is N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-(methylsulfamoyl)benzamide?
The canonical SMILES for N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1ccc(C(=O)Nc2cc(CC3CCCCC3)[nH]n2)cc1.
What is the InChIKey of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-(methylsulfamoyl)benzamide?
The InChIKey is QPFGZBSSTYZDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-19-26(24,25)16-9-7-14(8-10-16)18(23)20-17-12-15(21-22-17)11-13-5-3-2-4-6-13/h7-10,12-13,19H,2-6,11H2,1H3,(H2,20,21,22,23).
What are the key properties of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-(methylsulfamoyl)benzamide?
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-(methylsulfamoyl)benzamide has a molecular weight of 376.48 g/mol, XLogP of 2.69, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-(methylsulfamoyl)benzamide is sourced from PubChem (CID 47060223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).