N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-4-(5-methylpyrazol-1-yl)benzamide

C24H21ClN4O3S — CID 35932965

IUPACN-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-4-(5-methylpyrazol-1-yl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(-n3nccc3C)cc2)cc1S(=O)(=O)Nc1ccccc1Cl
InChIInChI=1S/C24H21ClN4O3S/c1-16-7-10-19(15-23(16)33(31,32)28-22-6-4-3-5-21(22)25)27-24(30)18-8-11-20(12-9-18)29-17(2)13-14-26-29/h3-15,28H,1-2H3,(H,27,30)
InChIKeySHWHAFBNJPVIQR-UHFFFAOYSA-N
MW480.98 g/mol
LogP5.20
Rot. Bonds6

About N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-4-(5-methylpyrazol-1-yl)benzamide

N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-4-(5-methylpyrazol-1-yl)benzamide (PubChem CID 35932965) has the molecular formula C24H21ClN4O3S and a molecular weight of 480.98 g/mol. Its IUPAC name is N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-4-(5-methylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-4-(5-methylpyrazol-1-yl)benzamide
PubChem CID35932965
Molecular FormulaC24H21ClN4O3S
Molecular Weight480.98 g/mol
Exact Mass480.10
IUPAC NameN-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-4-(5-methylpyrazol-1-yl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(-n3nccc3C)cc2)cc1S(=O)(=O)Nc1ccccc1Cl
InChIInChI=1S/C24H21ClN4O3S/c1-16-7-10-19(15-23(16)33(31,32)28-22-6-4-3-5-21(22)25)27-24(30)18-8-11-20(12-9-18)29-17(2)13-14-26-29/h3-15,28H,1-2H3,(H,27,30)
InChIKeySHWHAFBNJPVIQR-UHFFFAOYSA-N
XLogP5.20
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.98
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 42064323
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-3-[(2,3-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 3692029
N-(2-chlorophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 9411375
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]quinoline-4-carboxamide
CID 112796034
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-methylsulfanylacetamide
CID 9243850
N-(3-chloro-4-methoxyphenyl)-4-(5-methylpyrazol-1-yl)benzamide
CID 9269655
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 3484763
N-(2-chlorophenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 1241946
methyl 4-[[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]benzoate
CID 24510134
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]benzamide
CID 24648300
(2R)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-methylbutanamide
CID 35560710
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 126412405

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-4-(5-methylpyrazol-1-yl)benzamide?
The IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-4-(5-methylpyrazol-1-yl)benzamide (CID 35932965) is N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-4-(5-methylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-4-(5-methylpyrazol-1-yl)benzamide?
The canonical SMILES for N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-4-(5-methylpyrazol-1-yl)benzamide is Cc1ccc(NC(=O)c2ccc(-n3nccc3C)cc2)cc1S(=O)(=O)Nc1ccccc1Cl.
What is the InChIKey of N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-4-(5-methylpyrazol-1-yl)benzamide?
The InChIKey is SHWHAFBNJPVIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O3S/c1-16-7-10-19(15-23(16)33(31,32)28-22-6-4-3-5-21(22)25)27-24(30)18-8-11-20(12-9-18)29-17(2)13-14-26-29/h3-15,28H,1-2H3,(H,27,30).
What are the key properties of N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-4-(5-methylpyrazol-1-yl)benzamide?
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-4-(5-methylpyrazol-1-yl)benzamide has a molecular weight of 480.98 g/mol, XLogP of 5.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-4-(5-methylpyrazol-1-yl)benzamide is sourced from PubChem (CID 35932965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).