N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide

C30H24ClN3O4S — CID 19473510

IUPACN-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2c(-c3ccccc3)nn(-c3ccccc3)c2C)cc(S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C30H24ClN3O4S/c1-20-28(29(21-9-5-3-6-10-21)33-34(20)24-11-7-4-8-12-24)30(35)32-23-17-25(38-2)19-27(18-23)39(36,37)26-15-13-22(31)14-16-26/h3-19H,1-2H3,(H,32,35)
InChIKeyUOXNOHGFSJUCGD-UHFFFAOYSA-N
MW558.06 g/mol
LogP6.59
Rot. Bonds7

About N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide

N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide (PubChem CID 19473510) has the molecular formula C30H24ClN3O4S and a molecular weight of 558.06 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
PubChem CID19473510
Molecular FormulaC30H24ClN3O4S
Molecular Weight558.06 g/mol
Exact Mass557.12
IUPAC NameN-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2c(-c3ccccc3)nn(-c3ccccc3)c2C)cc(S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C30H24ClN3O4S/c1-20-28(29(21-9-5-3-6-10-21)33-34(20)24-11-7-4-8-12-24)30(35)32-23-17-25(38-2)19-27(18-23)39(36,37)26-15-13-22(31)14-16-26/h3-19H,1-2H3,(H,32,35)
InChIKeyUOXNOHGFSJUCGD-UHFFFAOYSA-N
XLogP6.59
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.06
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-hydroxyphenyl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473579
N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473415
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]propanamide
CID 19543847
5-methyl-N-[3-(4-methylphenoxy)-5-nitrophenyl]-1,3-diphenylpyrazole-4-carboxamide
CID 19473414
N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267765
N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide
CID 19516690
5-methyl-N-(4-nitrophenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 19473299
N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-1-methyl-4-nitropyrazole-3-carboxamide
CID 17026778
N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 998979
7-[chloro(difluoro)methyl]-N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19458157
5-amino-N-[4-[[5-amino-3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonyl]amino]phenyl]-3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide
CID 139225071
N,5-dimethyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473549

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide?
The IUPAC name of N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide (CID 19473510) is N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide is COc1cc(NC(=O)c2c(-c3ccccc3)nn(-c3ccccc3)c2C)cc(S(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide?
The InChIKey is UOXNOHGFSJUCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24ClN3O4S/c1-20-28(29(21-9-5-3-6-10-21)33-34(20)24-11-7-4-8-12-24)30(35)32-23-17-25(38-2)19-27(18-23)39(36,37)26-15-13-22(31)14-16-26/h3-19H,1-2H3,(H,32,35).
What are the key properties of N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide?
N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide has a molecular weight of 558.06 g/mol, XLogP of 6.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 19473510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).