N-(5-benzoyl-2-methoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C19H19N3O4S — CID 110360096

IUPACN-(5-benzoyl-2-methoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCOc1ccc(C(=O)c2ccccc2)cc1NS(=O)(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C19H19N3O4S/c1-12-19(13(2)21-20-12)27(24,25)22-16-11-15(9-10-17(16)26-3)18(23)14-7-5-4-6-8-14/h4-11,22H,1-3H3,(H,20,21)
InChIKeyNARLLSCHKMGTNG-UHFFFAOYSA-N
MW385.45 g/mol
LogP3.07
Rot. Bonds6

About N-(5-benzoyl-2-methoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-(5-benzoyl-2-methoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 110360096) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-(5-benzoyl-2-methoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(5-benzoyl-2-methoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID110360096
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC NameN-(5-benzoyl-2-methoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCOc1ccc(C(=O)c2ccccc2)cc1NS(=O)(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C19H19N3O4S/c1-12-19(13(2)21-20-12)27(24,25)22-16-11-15(9-10-17(16)26-3)18(23)14-7-5-4-6-8-14/h4-11,22H,1-3H3,(H,20,21)
InChIKeyNARLLSCHKMGTNG-UHFFFAOYSA-N
XLogP3.07
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxy-2,3-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110777753
N-(4,5-dimethoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 26949775
4-bromo-3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid
CID 104935776
N-(4-chloro-2,5-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 2683826
2-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]acetic acid
CID 62535345
N-(5-benzoyl-2-methoxyphenyl)-2-methylpropanamide
CID 56687266
methyl 3-(benzenesulfonamido)-4-methoxybenzoate
CID 3804370
methyl 4-methoxy-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]benzoate
CID 3408360
N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43091247
N-(2-methoxyphenyl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide
CID 106044765
4-methoxy-3-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 4126284
N-(4-bromo-2-cyanophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 82708048

Frequently Asked Questions

What is the IUPAC name of N-(5-benzoyl-2-methoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(5-benzoyl-2-methoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 110360096) is N-(5-benzoyl-2-methoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(5-benzoyl-2-methoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(5-benzoyl-2-methoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is COc1ccc(C(=O)c2ccccc2)cc1NS(=O)(=O)c1c(C)n[nH]c1C.
What is the InChIKey of N-(5-benzoyl-2-methoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is NARLLSCHKMGTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-12-19(13(2)21-20-12)27(24,25)22-16-11-15(9-10-17(16)26-3)18(23)14-7-5-4-6-8-14/h4-11,22H,1-3H3,(H,20,21).
What are the key properties of N-(5-benzoyl-2-methoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-(5-benzoyl-2-methoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 385.45 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzoyl-2-methoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 110360096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).