N-(3-chloro-4-fluorophenyl)-3-[3-(ethylsulfamoyl)-4-methoxyphenyl]-1H-pyrazole-5-carboxamide

C19H18ClFN4O4S — CID 50751786

IUPACN-(3-chloro-4-fluorophenyl)-3-[3-(ethylsulfamoyl)-4-methoxyphenyl]-1H-pyrazole-5-carboxamide
SMILESCCNS(=O)(=O)c1cc(-c2cc(C(=O)Nc3ccc(F)c(Cl)c3)[nH]n2)ccc1OC
InChIInChI=1S/C19H18ClFN4O4S/c1-3-22-30(27,28)18-8-11(4-7-17(18)29-2)15-10-16(25-24-15)19(26)23-12-5-6-14(21)13(20)9-12/h4-10,22H,3H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyLMWYKDIYKIBOBW-UHFFFAOYSA-N
MW452.90 g/mol
LogP3.43
Rot. Bonds7

About N-(3-chloro-4-fluorophenyl)-3-[3-(ethylsulfamoyl)-4-methoxyphenyl]-1H-pyrazole-5-carboxamide

N-(3-chloro-4-fluorophenyl)-3-[3-(ethylsulfamoyl)-4-methoxyphenyl]-1H-pyrazole-5-carboxamide (PubChem CID 50751786) has the molecular formula C19H18ClFN4O4S and a molecular weight of 452.90 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-[3-(ethylsulfamoyl)-4-methoxyphenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-[3-(ethylsulfamoyl)-4-methoxyphenyl]-1H-pyrazole-5-carboxamide
PubChem CID50751786
Molecular FormulaC19H18ClFN4O4S
Molecular Weight452.90 g/mol
Exact Mass452.07
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-[3-(ethylsulfamoyl)-4-methoxyphenyl]-1H-pyrazole-5-carboxamide
SMILESCCNS(=O)(=O)c1cc(-c2cc(C(=O)Nc3ccc(F)c(Cl)c3)[nH]n2)ccc1OC
InChIInChI=1S/C19H18ClFN4O4S/c1-3-22-30(27,28)18-8-11(4-7-17(18)29-2)15-10-16(25-24-15)19(26)23-12-5-6-14(21)13(20)9-12/h4-10,22H,3H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyLMWYKDIYKIBOBW-UHFFFAOYSA-N
XLogP3.43
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.90
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-fluorophenyl)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide
CID 50751820
N-(4-ethylphenyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide
CID 50751739
3-(4-methoxy-3-sulfamoylphenyl)-N-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide
CID 50751814
N-(3-chloro-4-fluorophenyl)-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 20974307
N-(4-bromo-3-methylphenyl)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-1H-pyrazole-5-carboxamide
CID 50751783
N-(4-methoxy-3-sulfamoylphenyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 8889356
N-(3-chloro-4-fluorophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
CID 41451558
N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514552
N-(3-chloro-4-fluorophenyl)-5,6-dimethoxy-1H-indole-2-carboxamide
CID 7679189
N-(4-acetamido-3-methoxyphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 87019112
N-[(4-chlorophenyl)methyl]-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide
CID 50751774
N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19510356

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-[3-(ethylsulfamoyl)-4-methoxyphenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-[3-(ethylsulfamoyl)-4-methoxyphenyl]-1H-pyrazole-5-carboxamide (CID 50751786) is N-(3-chloro-4-fluorophenyl)-3-[3-(ethylsulfamoyl)-4-methoxyphenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-[3-(ethylsulfamoyl)-4-methoxyphenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-[3-(ethylsulfamoyl)-4-methoxyphenyl]-1H-pyrazole-5-carboxamide is CCNS(=O)(=O)c1cc(-c2cc(C(=O)Nc3ccc(F)c(Cl)c3)[nH]n2)ccc1OC.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-[3-(ethylsulfamoyl)-4-methoxyphenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is LMWYKDIYKIBOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN4O4S/c1-3-22-30(27,28)18-8-11(4-7-17(18)29-2)15-10-16(25-24-15)19(26)23-12-5-6-14(21)13(20)9-12/h4-10,22H,3H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-[3-(ethylsulfamoyl)-4-methoxyphenyl]-1H-pyrazole-5-carboxamide?
N-(3-chloro-4-fluorophenyl)-3-[3-(ethylsulfamoyl)-4-methoxyphenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 452.90 g/mol, XLogP of 3.43, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-[3-(ethylsulfamoyl)-4-methoxyphenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 50751786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).