N-[2-chloro-5-(diethylsulfamoyl)phenyl]-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide

C22H24Cl2N4O3S — CID 55581448

IUPACN-[2-chloro-5-(diethylsulfamoyl)phenyl]-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2Cl)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C22H24Cl2N4O3S/c1-4-21-18(14-25-28(21)16-9-7-8-15(23)12-16)22(29)26-20-13-17(10-11-19(20)24)32(30,31)27(5-2)6-3/h7-14H,4-6H2,1-3H3,(H,26,29)
InChIKeyJOGZSADDTJYFEW-UHFFFAOYSA-N
MW495.43 g/mol
LogP5.02
Rot. Bonds8

About N-[2-chloro-5-(diethylsulfamoyl)phenyl]-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide

N-[2-chloro-5-(diethylsulfamoyl)phenyl]-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide (PubChem CID 55581448) has the molecular formula C22H24Cl2N4O3S and a molecular weight of 495.43 g/mol. Its IUPAC name is N-[2-chloro-5-(diethylsulfamoyl)phenyl]-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(diethylsulfamoyl)phenyl]-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide
PubChem CID55581448
Molecular FormulaC22H24Cl2N4O3S
Molecular Weight495.43 g/mol
Exact Mass494.09
IUPAC NameN-[2-chloro-5-(diethylsulfamoyl)phenyl]-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2Cl)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C22H24Cl2N4O3S/c1-4-21-18(14-25-28(21)16-9-7-8-15(23)12-16)22(29)26-20-13-17(10-11-19(20)24)32(30,31)27(5-2)6-3/h7-14H,4-6H2,1-3H3,(H,26,29)
InChIKeyJOGZSADDTJYFEW-UHFFFAOYSA-N
XLogP5.02
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.43
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chlorophenyl)-5-ethyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrazole-4-carboxamide
CID 46589327
1-(3-chlorophenyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-5-ethylpyrazole-4-carboxamide
CID 55595506
1-(3-chlorophenyl)-N-[4-(dimethylamino)-3,5-difluorophenyl]-5-ethylpyrazole-4-carboxamide
CID 55864191
N-(3-acetylphenyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide
CID 31884775
5-chloro-N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-methoxybenzamide
CID 55343210
1-(3-chlorophenyl)-N-cyclopropyl-5-ethylpyrazole-4-carboxamide
CID 31900860
N-butan-2-yl-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide
CID 46671572
1-(3-chlorophenyl)-N-(cyanomethyl)-5-ethylpyrazole-4-carboxamide
CID 52832765
N-(2-amino-2-ethylbutyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide;hydrochloride
CID 119639884
(2R)-2-[[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]amino]propanoic acid
CID 119244369
1-(3-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-ethylpyrazole-4-carboxamide
CID 46588715
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide
CID 55667115

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(diethylsulfamoyl)phenyl]-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide?
The IUPAC name of N-[2-chloro-5-(diethylsulfamoyl)phenyl]-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide (CID 55581448) is N-[2-chloro-5-(diethylsulfamoyl)phenyl]-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(diethylsulfamoyl)phenyl]-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-chloro-5-(diethylsulfamoyl)phenyl]-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide is CCc1c(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2Cl)cnn1-c1cccc(Cl)c1.
What is the InChIKey of N-[2-chloro-5-(diethylsulfamoyl)phenyl]-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide?
The InChIKey is JOGZSADDTJYFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N4O3S/c1-4-21-18(14-25-28(21)16-9-7-8-15(23)12-16)22(29)26-20-13-17(10-11-19(20)24)32(30,31)27(5-2)6-3/h7-14H,4-6H2,1-3H3,(H,26,29).
What are the key properties of N-[2-chloro-5-(diethylsulfamoyl)phenyl]-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide?
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide has a molecular weight of 495.43 g/mol, XLogP of 5.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(diethylsulfamoyl)phenyl]-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 55581448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).