N-[(3-chlorophenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide

C18H17ClN4O4S — CID 53115668

IUPACN-[(3-chlorophenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2[nH]ncc2C(=O)NCc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H17ClN4O4S/c1-27-15-7-5-14(6-8-15)23-28(25,26)18-16(11-21-22-18)17(24)20-10-12-3-2-4-13(19)9-12/h2-9,11,23H,10H2,1H3,(H,20,24)(H,21,22)
InChIKeyIWYMIXQUVVYHJH-UHFFFAOYSA-N
MW420.88 g/mol
LogP2.80
Rot. Bonds7

About N-[(3-chlorophenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide

N-[(3-chlorophenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide (PubChem CID 53115668) has the molecular formula C18H17ClN4O4S and a molecular weight of 420.88 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
PubChem CID53115668
Molecular FormulaC18H17ClN4O4S
Molecular Weight420.88 g/mol
Exact Mass420.07
IUPAC NameN-[(3-chlorophenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2[nH]ncc2C(=O)NCc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H17ClN4O4S/c1-27-15-7-5-14(6-8-15)23-28(25,26)18-16(11-21-22-18)17(24)20-10-12-3-2-4-13(19)9-12/h2-9,11,23H,10H2,1H3,(H,20,24)(H,21,22)
InChIKeyIWYMIXQUVVYHJH-UHFFFAOYSA-N
XLogP2.80
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.88
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-ethylphenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115660
N-[2-(4-chlorophenyl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115672
N-[(2-fluorophenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115664
N-[(3-chlorophenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 18291284
N-(3-fluorophenyl)-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115538
5-[(4-ethoxyphenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 171146148
N-[(3-chlorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide
CID 58924260
N-(3-chlorophenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide
CID 53115439
methyl 4-[[5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carbonyl]amino]benzoate
CID 53115536
5-[(3-methoxyphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60911407
N-[(2,4-difluorophenyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115701
N-[(3-methoxyphenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824643

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide (CID 53115668) is N-[(3-chlorophenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide is COc1ccc(NS(=O)(=O)c2[nH]ncc2C(=O)NCc2cccc(Cl)c2)cc1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide?
The InChIKey is IWYMIXQUVVYHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O4S/c1-27-15-7-5-14(6-8-15)23-28(25,26)18-16(11-21-22-18)17(24)20-10-12-3-2-4-13(19)9-12/h2-9,11,23H,10H2,1H3,(H,20,24)(H,21,22).
What are the key properties of N-[(3-chlorophenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide?
N-[(3-chlorophenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide has a molecular weight of 420.88 g/mol, XLogP of 2.80, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 53115668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).