N-(2-chloro-5-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide

C11H11ClN4O3S — CID 61131082

IUPACN-(2-chloro-5-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1cc(S(N)(=O)=O)ccc1Cl
InChIInChI=1S/C11H11ClN4O3S/c1-16-10(4-5-14-16)11(17)15-9-6-7(20(13,18)19)2-3-8(9)12/h2-6H,1H3,(H,15,17)(H2,13,18,19)
InChIKeyHKTJQGIQVAFOMB-UHFFFAOYSA-N
MW314.75 g/mol
LogP0.97
Rot. Bonds3

About N-(2-chloro-5-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide

N-(2-chloro-5-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide (PubChem CID 61131082) has the molecular formula C11H11ClN4O3S and a molecular weight of 314.75 g/mol. Its IUPAC name is N-(2-chloro-5-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide
PubChem CID61131082
Molecular FormulaC11H11ClN4O3S
Molecular Weight314.75 g/mol
Exact Mass314.02
IUPAC NameN-(2-chloro-5-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1cc(S(N)(=O)=O)ccc1Cl
InChIInChI=1S/C11H11ClN4O3S/c1-16-10(4-5-14-16)11(17)15-9-6-7(20(13,18)19)2-3-8(9)12/h2-6H,1H3,(H,15,17)(H2,13,18,19)
InChIKeyHKTJQGIQVAFOMB-UHFFFAOYSA-N
XLogP0.97
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.75
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromo-4-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide
CID 61129736
N-(2-fluoro-4-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide
CID 61129598
3-chloro-4-[(2-methylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride
CID 62920806
N-(2-chloro-5-sulfamoylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 61128987
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-methylpyrazole-3-carboxamide
CID 19475773
N-(2-chloro-5-sulfamoylphenyl)-1,2-oxazole-5-carboxamide
CID 61131080
N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]-2-methylpyrazole-3-carboxamide
CID 62914325
N-(2-chloro-5-sulfamoylphenyl)propanamide
CID 61130694
4,5-dibromo-N-(2-chloro-5-sulfamoylphenyl)thiophene-2-carboxamide
CID 80534332
5-chloro-N-(2-chloro-5-sulfamoylphenyl)thiophene-2-carboxamide
CID 62276709
N-(2,4-dibromophenyl)-2-methylpyrazole-3-carboxamide
CID 47083946
(2S)-2-amino-N-(2-chloro-5-sulfamoylphenyl)-3-methylbutanamide
CID 61178070

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-(2-chloro-5-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide (CID 61131082) is N-(2-chloro-5-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-chloro-5-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-chloro-5-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)Nc1cc(S(N)(=O)=O)ccc1Cl.
What is the InChIKey of N-(2-chloro-5-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide?
The InChIKey is HKTJQGIQVAFOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O3S/c1-16-10(4-5-14-16)11(17)15-9-6-7(20(13,18)19)2-3-8(9)12/h2-6H,1H3,(H,15,17)(H2,13,18,19).
What are the key properties of N-(2-chloro-5-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide?
N-(2-chloro-5-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide has a molecular weight of 314.75 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 61131082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).