N-[2-(1H-pyrazole-5-carbonyl)phenyl]benzenesulfonamide

C16H13N3O3S — CID 134250666

IUPACN-[2-(1H-pyrazole-5-carbonyl)phenyl]benzenesulfonamide
SMILESO=C(c1ccn[nH]1)c1ccccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H13N3O3S/c20-16(15-10-11-17-18-15)13-8-4-5-9-14(13)19-23(21,22)12-6-2-1-3-7-12/h1-11,19H,(H,17,18)
InChIKeyCYKFLOMQOMFUOE-UHFFFAOYSA-N
MW327.37 g/mol
LogP2.44
Rot. Bonds5

About N-[2-(1H-pyrazole-5-carbonyl)phenyl]benzenesulfonamide

N-[2-(1H-pyrazole-5-carbonyl)phenyl]benzenesulfonamide (PubChem CID 134250666) has the molecular formula C16H13N3O3S and a molecular weight of 327.37 g/mol. Its IUPAC name is N-[2-(1H-pyrazole-5-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(1H-pyrazole-5-carbonyl)phenyl]benzenesulfonamide
PubChem CID134250666
Molecular FormulaC16H13N3O3S
Molecular Weight327.37 g/mol
Exact Mass327.07
IUPAC NameN-[2-(1H-pyrazole-5-carbonyl)phenyl]benzenesulfonamide
SMILESO=C(c1ccn[nH]1)c1ccccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H13N3O3S/c20-16(15-10-11-17-18-15)13-8-4-5-9-14(13)19-23(21,22)12-6-2-1-3-7-12/h1-11,19H,(H,17,18)
InChIKeyCYKFLOMQOMFUOE-UHFFFAOYSA-N
XLogP2.44
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(pyrazine-2-carbonyl)phenyl]benzenesulfonamide
CID 59788574
benzenesulfonamido 1H-pyrazole-5-carboxylate
CID 174204990
N-[2-(1,3-oxazole-4-carbonyl)phenyl]benzenesulfonamide
CID 59788779
2-(benzenesulfonamido)-N-benzylbenzamide
CID 1320833
N-[2-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)phenyl]benzenesulfonamide
CID 58883559
2-[(4-carboxyphenyl)sulfonylamino]benzoic acid
CID 763907
N-[2-(1,4-diazacyclohepta-2,4,6,7-tetraene-2-carbonyl)phenyl]benzenesulfonamide
CID 134250635
N-[2-(1,2,3,4-tetrahydroisoquinoline-5-carbonyl)phenyl]benzenesulfonamide
CID 70880021
2-(benzenesulfonamido)-N-cycloheptylbenzamide
CID 126412627
N-(2-benzoylphenyl)-4-tert-butylbenzenesulfonamide
CID 10883729
2-(benzenesulfonamido)-N-(4-chlorophenyl)benzamide
CID 1243115
2-(benzenesulfonamido)-N-(5-chloro-2-methylphenyl)benzamide
CID 2977231

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-pyrazole-5-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of N-[2-(1H-pyrazole-5-carbonyl)phenyl]benzenesulfonamide (CID 134250666) is N-[2-(1H-pyrazole-5-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(1H-pyrazole-5-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[2-(1H-pyrazole-5-carbonyl)phenyl]benzenesulfonamide is O=C(c1ccn[nH]1)c1ccccc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-(1H-pyrazole-5-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is CYKFLOMQOMFUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3S/c20-16(15-10-11-17-18-15)13-8-4-5-9-14(13)19-23(21,22)12-6-2-1-3-7-12/h1-11,19H,(H,17,18).
What are the key properties of N-[2-(1H-pyrazole-5-carbonyl)phenyl]benzenesulfonamide?
N-[2-(1H-pyrazole-5-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 327.37 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-pyrazole-5-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 134250666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).