3-(cyclopropylsulfamoyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide

C15H18N4O3S — CID 86846328

IUPAC3-(cyclopropylsulfamoyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide
SMILESCc1n[nH]c(C)c1NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C15H18N4O3S/c1-9-14(10(2)18-17-9)16-15(20)11-4-3-5-13(8-11)23(21,22)19-12-6-7-12/h3-5,8,12,19H,6-7H2,1-2H3,(H,16,20)(H,17,18)
InChIKeyWGSPEBKZCBWRMW-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.72
Rot. Bonds5

About 3-(cyclopropylsulfamoyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide

3-(cyclopropylsulfamoyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide (PubChem CID 86846328) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is 3-(cyclopropylsulfamoyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound Name3-(cyclopropylsulfamoyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide
PubChem CID86846328
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name3-(cyclopropylsulfamoyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide
SMILESCc1n[nH]c(C)c1NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C15H18N4O3S/c1-9-14(10(2)18-17-9)16-15(20)11-4-3-5-13(8-11)23(21,22)19-12-6-7-12/h3-5,8,12,19H,6-7H2,1-2H3,(H,16,20)(H,17,18)
InChIKeyWGSPEBKZCBWRMW-UHFFFAOYSA-N
XLogP1.72
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopropylsulfamoyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
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CID 30856229
3-(cyclopropylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 27700197
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorobenzamide
CID 894729
3-(cyclopropylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
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CID 26121096
3-(cyclopropylsulfamoyl)-N-(3-propan-2-ylphenyl)benzamide
CID 42236607
3-(cyclopropylsulfamoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 32624601
3-(cyclopropylsulfamoyl)-N-[6-(4-methylphenoxy)-3-pyridinyl]benzamide
CID 55787755
ethyl 2-[[3-(cyclopropylsulfamoyl)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 18227741
3-(cyclopropylsulfamoyl)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]benzamide
CID 55480080
N-(5-chloro-2-fluorophenyl)-3-(cyclopropylsulfamoyl)benzamide
CID 94006212

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfamoyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide?
The IUPAC name of 3-(cyclopropylsulfamoyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide (CID 86846328) is 3-(cyclopropylsulfamoyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for 3-(cyclopropylsulfamoyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide?
The canonical SMILES for 3-(cyclopropylsulfamoyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide is Cc1n[nH]c(C)c1NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of 3-(cyclopropylsulfamoyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide?
The InChIKey is WGSPEBKZCBWRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-9-14(10(2)18-17-9)16-15(20)11-4-3-5-13(8-11)23(21,22)19-12-6-7-12/h3-5,8,12,19H,6-7H2,1-2H3,(H,16,20)(H,17,18).
What are the key properties of 3-(cyclopropylsulfamoyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide?
3-(cyclopropylsulfamoyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide has a molecular weight of 334.40 g/mol, XLogP of 1.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfamoyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 86846328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).