N-(1-benzylpyrazol-4-yl)-4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzamide

C24H21ClN4O4S — CID 55947709

IUPACN-(1-benzylpyrazol-4-yl)-4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2cnn(Cc3ccccc3)c2)ccc1Cl
InChIInChI=1S/C24H21ClN4O4S/c1-33-22-10-6-5-9-21(22)28-34(31,32)23-13-18(11-12-20(23)25)24(30)27-19-14-26-29(16-19)15-17-7-3-2-4-8-17/h2-14,16,28H,15H2,1H3,(H,27,30)
InChIKeyVDZGTZNEXCOYKT-UHFFFAOYSA-N
MW496.98 g/mol
LogP4.65
Rot. Bonds8

About N-(1-benzylpyrazol-4-yl)-4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzamide

N-(1-benzylpyrazol-4-yl)-4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzamide (PubChem CID 55947709) has the molecular formula C24H21ClN4O4S and a molecular weight of 496.98 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzamide
PubChem CID55947709
Molecular FormulaC24H21ClN4O4S
Molecular Weight496.98 g/mol
Exact Mass496.10
IUPAC NameN-(1-benzylpyrazol-4-yl)-4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2cnn(Cc3ccccc3)c2)ccc1Cl
InChIInChI=1S/C24H21ClN4O4S/c1-33-22-10-6-5-9-21(22)28-34(31,32)23-13-18(11-12-20(23)25)24(30)27-19-14-26-29(16-19)15-17-7-3-2-4-8-17/h2-14,16,28H,15H2,1H3,(H,27,30)
InChIKeyVDZGTZNEXCOYKT-UHFFFAOYSA-N
XLogP4.65
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.98
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 46525468
N-(1-benzylpyrazol-4-yl)-3-(cyclopropylsulfamoyl)-4-methoxybenzamide
CID 55947712
4-chloro-N-(3-chloro-2-methylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26589777
4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 37064210
4-chloro-N-(2,4-dimethylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538705
methyl 6-[[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]hexanoate
CID 31840810
N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-phenylimidazole-4-carboxamide
CID 17422285
4-chloro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 4097318
4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 46525069
4-chloro-N-[3-(diethylamino)propyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide chloride
CID 53314731
N-(1,3-benzothiazol-2-yl)-4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 35993548
N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 4846593

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzamide (CID 55947709) is N-(1-benzylpyrazol-4-yl)-4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzamide is COc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2cnn(Cc3ccccc3)c2)ccc1Cl.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
The InChIKey is VDZGTZNEXCOYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O4S/c1-33-22-10-6-5-9-21(22)28-34(31,32)23-13-18(11-12-20(23)25)24(30)27-19-14-26-29(16-19)15-17-7-3-2-4-8-17/h2-14,16,28H,15H2,1H3,(H,27,30).
What are the key properties of N-(1-benzylpyrazol-4-yl)-4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
N-(1-benzylpyrazol-4-yl)-4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzamide has a molecular weight of 496.98 g/mol, XLogP of 4.65, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 55947709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).