1-(3-chlorophenyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]pyrazole-3-carboxamide

C24H21ClN4O4S — CID 167920194

IUPAC1-(3-chlorophenyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]pyrazole-3-carboxamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccn(-c3cccc(Cl)c3)n2)ccc1C
InChIInChI=1S/C24H21ClN4O4S/c1-16-10-11-18(15-23(16)34(31,32)28-20-8-3-4-9-22(20)33-2)26-24(30)21-12-13-29(27-21)19-7-5-6-17(25)14-19/h3-15,28H,1-2H3,(H,26,30)
InChIKeyPQJWELXPFONUFB-UHFFFAOYSA-N
MW496.98 g/mol
LogP4.90
Rot. Bonds7

About 1-(3-chlorophenyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]pyrazole-3-carboxamide

1-(3-chlorophenyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]pyrazole-3-carboxamide (PubChem CID 167920194) has the molecular formula C24H21ClN4O4S and a molecular weight of 496.98 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]pyrazole-3-carboxamide
PubChem CID167920194
Molecular FormulaC24H21ClN4O4S
Molecular Weight496.98 g/mol
Exact Mass496.10
IUPAC Name1-(3-chlorophenyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]pyrazole-3-carboxamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccn(-c3cccc(Cl)c3)n2)ccc1C
InChIInChI=1S/C24H21ClN4O4S/c1-16-10-11-18(15-23(16)34(31,32)28-20-8-3-4-9-22(20)33-2)26-24(30)21-12-13-29(27-21)19-7-5-6-17(25)14-19/h3-15,28H,1-2H3,(H,26,30)
InChIKeyPQJWELXPFONUFB-UHFFFAOYSA-N
XLogP4.90
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.98
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,3-dimethylbenzamide
CID 3879769
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-4-methylbenzamide
CID 71904027
1-tert-butyl-5-cyclopropyl-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]pyrazole-3-carboxamide
CID 55883271
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-2,3-dimethoxybenzamide
CID 24645186
N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 4846593
ethyl 6-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55631489
N-[3-(diethylsulfamoyl)-4-methylphenyl]-1-phenylpyrazole-3-carboxamide
CID 39898710
N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-phenylimidazole-4-carboxamide
CID 17422285
N-(5-carbamoyl-2-methoxyphenyl)-1-(3-chlorophenyl)pyrazole-3-carboxamide
CID 55924906
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 46417426
5-chloro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 24513759
3-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoic acid
CID 1081903

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]pyrazole-3-carboxamide (CID 167920194) is 1-(3-chlorophenyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]pyrazole-3-carboxamide is COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccn(-c3cccc(Cl)c3)n2)ccc1C.
What is the InChIKey of 1-(3-chlorophenyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]pyrazole-3-carboxamide?
The InChIKey is PQJWELXPFONUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O4S/c1-16-10-11-18(15-23(16)34(31,32)28-20-8-3-4-9-22(20)33-2)26-24(30)21-12-13-29(27-21)19-7-5-6-17(25)14-19/h3-15,28H,1-2H3,(H,26,30).
What are the key properties of 1-(3-chlorophenyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]pyrazole-3-carboxamide?
1-(3-chlorophenyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]pyrazole-3-carboxamide has a molecular weight of 496.98 g/mol, XLogP of 4.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 167920194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).