N-[2-[4-(benzenesulfonamido)phenyl]-5-methylpyrazol-3-yl]acetamide

C18H18N4O3S — CID 43069485

IUPACN-[2-[4-(benzenesulfonamido)phenyl]-5-methylpyrazol-3-yl]acetamide
SMILESCC(=O)Nc1cc(C)nn1-c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C18H18N4O3S/c1-13-12-18(19-14(2)23)22(20-13)16-10-8-15(9-11-16)21-26(24,25)17-6-4-3-5-7-17/h3-12,21H,1-2H3,(H,19,23)
InChIKeyLEJHPGMDUPCMQJ-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.94
Rot. Bonds5

About N-[2-[4-(benzenesulfonamido)phenyl]-5-methylpyrazol-3-yl]acetamide

N-[2-[4-(benzenesulfonamido)phenyl]-5-methylpyrazol-3-yl]acetamide (PubChem CID 43069485) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-[2-[4-(benzenesulfonamido)phenyl]-5-methylpyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(benzenesulfonamido)phenyl]-5-methylpyrazol-3-yl]acetamide
PubChem CID43069485
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC NameN-[2-[4-(benzenesulfonamido)phenyl]-5-methylpyrazol-3-yl]acetamide
SMILESCC(=O)Nc1cc(C)nn1-c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C18H18N4O3S/c1-13-12-18(19-14(2)23)22(20-13)16-10-8-15(9-11-16)21-26(24,25)17-6-4-3-5-7-17/h3-12,21H,1-2H3,(H,19,23)
InChIKeyLEJHPGMDUPCMQJ-UHFFFAOYSA-N
XLogP2.94
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-methyl-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]pyrazol-3-yl]acetamide
CID 43069498
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide
CID 36591359
methyl 4-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]benzoate
CID 138994557
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
CID 16802156
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 37093234
N-[4-(5-chloro-3-methylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide
CID 169370933
3-(benzenesulfonamido)-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 37044059
1-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)pyrazole-4-sulfonamide
CID 155945046
4-(5-acetamido-3-methylpyrazol-1-yl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide
CID 34421347
1-(3,4-difluorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea
CID 56642816
methyl 2-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]pyridine-3-carboxylate
CID 139009903
N-[4-(5-acetamido-3-methylpyrazol-1-yl)phenyl]-2-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-2-oxoacetamide
CID 166222047

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(benzenesulfonamido)phenyl]-5-methylpyrazol-3-yl]acetamide?
The IUPAC name of N-[2-[4-(benzenesulfonamido)phenyl]-5-methylpyrazol-3-yl]acetamide (CID 43069485) is N-[2-[4-(benzenesulfonamido)phenyl]-5-methylpyrazol-3-yl]acetamide.
What is the SMILES notation for N-[2-[4-(benzenesulfonamido)phenyl]-5-methylpyrazol-3-yl]acetamide?
The canonical SMILES for N-[2-[4-(benzenesulfonamido)phenyl]-5-methylpyrazol-3-yl]acetamide is CC(=O)Nc1cc(C)nn1-c1ccc(NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[2-[4-(benzenesulfonamido)phenyl]-5-methylpyrazol-3-yl]acetamide?
The InChIKey is LEJHPGMDUPCMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-13-12-18(19-14(2)23)22(20-13)16-10-8-15(9-11-16)21-26(24,25)17-6-4-3-5-7-17/h3-12,21H,1-2H3,(H,19,23).
What are the key properties of N-[2-[4-(benzenesulfonamido)phenyl]-5-methylpyrazol-3-yl]acetamide?
N-[2-[4-(benzenesulfonamido)phenyl]-5-methylpyrazol-3-yl]acetamide has a molecular weight of 370.43 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(benzenesulfonamido)phenyl]-5-methylpyrazol-3-yl]acetamide is sourced from PubChem (CID 43069485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).