5-chloro-N-(3-methoxyphenyl)sulfonyl-1,3-dimethylpyrazole-4-carboxamide

C13H14ClN3O4S — CID 86868986

IUPAC5-chloro-N-(3-methoxyphenyl)sulfonyl-1,3-dimethylpyrazole-4-carboxamide
SMILESCOc1cccc(S(=O)(=O)NC(=O)c2c(C)nn(C)c2Cl)c1
InChIInChI=1S/C13H14ClN3O4S/c1-8-11(12(14)17(2)15-8)13(18)16-22(19,20)10-6-4-5-9(7-10)21-3/h4-7H,1-3H3,(H,16,18)
InChIKeyXKCGTCAXPXMSDJ-UHFFFAOYSA-N
MW343.79 g/mol
LogP1.51
Rot. Bonds4

About 5-chloro-N-(3-methoxyphenyl)sulfonyl-1,3-dimethylpyrazole-4-carboxamide

5-chloro-N-(3-methoxyphenyl)sulfonyl-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 86868986) has the molecular formula C13H14ClN3O4S and a molecular weight of 343.79 g/mol. Its IUPAC name is 5-chloro-N-(3-methoxyphenyl)sulfonyl-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-methoxyphenyl)sulfonyl-1,3-dimethylpyrazole-4-carboxamide
PubChem CID86868986
Molecular FormulaC13H14ClN3O4S
Molecular Weight343.79 g/mol
Exact Mass343.04
IUPAC Name5-chloro-N-(3-methoxyphenyl)sulfonyl-1,3-dimethylpyrazole-4-carboxamide
SMILESCOc1cccc(S(=O)(=O)NC(=O)c2c(C)nn(C)c2Cl)c1
InChIInChI=1S/C13H14ClN3O4S/c1-8-11(12(14)17(2)15-8)13(18)16-22(19,20)10-6-4-5-9(7-10)21-3/h4-7H,1-3H3,(H,16,18)
InChIKeyXKCGTCAXPXMSDJ-UHFFFAOYSA-N
XLogP1.51
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.79
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-(4-methoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 47137680
N-(3-methoxyphenyl)sulfonyl-3-methyl-1,2-oxazole-5-carboxamide
CID 47480088
N-(3-methoxyphenyl)sulfonyl-1-methylindole-2-carboxamide
CID 86868998
5-chloro-N-methoxy-1,3-dimethylpyrazole-4-carboxamide
CID 47143740
N-(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)-3-methoxybenzenesulfonamide
CID 166314705
N-[3-(difluoromethoxy)phenyl]sulfonyl-1,3-dimethyl-5-(oxan-2-ylmethoxy)pyrazole-4-carboxamide
CID 166342658
N-(3-acetylphenyl)-5-chloro-1,3-dimethylpyrazole-4-carboxamide
CID 47137762
5-chloro-1-(4-chlorophenyl)-3-methyl-N-[4-(trifluoromethoxy)phenyl]sulfonylpyrazole-4-carboxamide
CID 177451903
5-chloro-N-[(1R)-2-(4-methoxyanilino)-2-oxo-1-phenylethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 40567652
N-(3-methoxyphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 19481236
N-(3-methoxyphenyl)sulfonyloxane-4-carboxamide
CID 71935616
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-methoxyphenyl)sulfonylpropanamide
CID 86868974

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-methoxyphenyl)sulfonyl-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N-(3-methoxyphenyl)sulfonyl-1,3-dimethylpyrazole-4-carboxamide (CID 86868986) is 5-chloro-N-(3-methoxyphenyl)sulfonyl-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-methoxyphenyl)sulfonyl-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-(3-methoxyphenyl)sulfonyl-1,3-dimethylpyrazole-4-carboxamide is COc1cccc(S(=O)(=O)NC(=O)c2c(C)nn(C)c2Cl)c1.
What is the InChIKey of 5-chloro-N-(3-methoxyphenyl)sulfonyl-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is XKCGTCAXPXMSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O4S/c1-8-11(12(14)17(2)15-8)13(18)16-22(19,20)10-6-4-5-9(7-10)21-3/h4-7H,1-3H3,(H,16,18).
What are the key properties of 5-chloro-N-(3-methoxyphenyl)sulfonyl-1,3-dimethylpyrazole-4-carboxamide?
5-chloro-N-(3-methoxyphenyl)sulfonyl-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 343.79 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-methoxyphenyl)sulfonyl-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 86868986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).