N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(cyclopropylsulfamoyl)benzamide

C20H19ClN4O3S — CID 55480738

IUPACN-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(cyclopropylsulfamoyl)benzamide
SMILESCc1cc(NC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C20H19ClN4O3S/c1-13-10-19(25(23-13)17-6-3-5-15(21)12-17)22-20(26)14-4-2-7-18(11-14)29(27,28)24-16-8-9-16/h2-7,10-12,16,24H,8-9H2,1H3,(H,22,26)
InChIKeyGQFCMNODUJGPHK-UHFFFAOYSA-N
MW430.92 g/mol
LogP3.53
Rot. Bonds6

About N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(cyclopropylsulfamoyl)benzamide

N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(cyclopropylsulfamoyl)benzamide (PubChem CID 55480738) has the molecular formula C20H19ClN4O3S and a molecular weight of 430.92 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(cyclopropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(cyclopropylsulfamoyl)benzamide
PubChem CID55480738
Molecular FormulaC20H19ClN4O3S
Molecular Weight430.92 g/mol
Exact Mass430.09
IUPAC NameN-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(cyclopropylsulfamoyl)benzamide
SMILESCc1cc(NC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C20H19ClN4O3S/c1-13-10-19(25(23-13)17-6-3-5-15(21)12-17)22-20(26)14-4-2-7-18(11-14)29(27,28)24-16-8-9-16/h2-7,10-12,16,24H,8-9H2,1H3,(H,22,26)
InChIKeyGQFCMNODUJGPHK-UHFFFAOYSA-N
XLogP3.53
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.92
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(cyclopropylsulfamoyl)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]benzamide
CID 55480080
4-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 2352147
methyl 3-[[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]sulfamoyl]benzoate
CID 138994607
4-(butan-2-ylsulfamoyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 55493759
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 55378083
N-(5-chloro-2-fluorophenyl)-3-(cyclopropylsulfamoyl)benzamide
CID 94006212
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide
CID 55481157
5-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide
CID 55481154
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-(methylsulfanylmethyl)benzamide
CID 55480086
3-(cyclopropylsulfamoyl)-N-(2,3-dimethylphenyl)benzamide
CID 30856229
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(cyclopropylsulfamoyl)benzamide
CID 35355750
1-(benzenesulfonyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]piperidine-3-carboxamide
CID 55668435

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(cyclopropylsulfamoyl)benzamide?
The IUPAC name of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(cyclopropylsulfamoyl)benzamide (CID 55480738) is N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(cyclopropylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(cyclopropylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(cyclopropylsulfamoyl)benzamide is Cc1cc(NC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)n(-c2cccc(Cl)c2)n1.
What is the InChIKey of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(cyclopropylsulfamoyl)benzamide?
The InChIKey is GQFCMNODUJGPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3S/c1-13-10-19(25(23-13)17-6-3-5-15(21)12-17)22-20(26)14-4-2-7-18(11-14)29(27,28)24-16-8-9-16/h2-7,10-12,16,24H,8-9H2,1H3,(H,22,26).
What are the key properties of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(cyclopropylsulfamoyl)benzamide?
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(cyclopropylsulfamoyl)benzamide has a molecular weight of 430.92 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(cyclopropylsulfamoyl)benzamide is sourced from PubChem (CID 55480738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).