benzenesulfonamido 1H-pyrazole-5-carboxylate

C10H9N3O4S — CID 174204990

IUPACbenzenesulfonamido 1H-pyrazole-5-carboxylate
SMILESO=C(ONS(=O)(=O)c1ccccc1)c1ccn[nH]1
InChIInChI=1S/C10H9N3O4S/c14-10(9-6-7-11-12-9)17-13-18(15,16)8-4-2-1-3-5-8/h1-7,13H,(H,11,12)
InChIKeyRCFZODPPWOLQBD-UHFFFAOYSA-N
MW267.27 g/mol
LogP0.46
Rot. Bonds4

About benzenesulfonamido 1H-pyrazole-5-carboxylate

benzenesulfonamido 1H-pyrazole-5-carboxylate (PubChem CID 174204990) has the molecular formula C10H9N3O4S and a molecular weight of 267.27 g/mol. Its IUPAC name is benzenesulfonamido 1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Namebenzenesulfonamido 1H-pyrazole-5-carboxylate
PubChem CID174204990
Molecular FormulaC10H9N3O4S
Molecular Weight267.27 g/mol
Exact Mass267.03
IUPAC Namebenzenesulfonamido 1H-pyrazole-5-carboxylate
SMILESO=C(ONS(=O)(=O)c1ccccc1)c1ccn[nH]1
InChIInChI=1S/C10H9N3O4S/c14-10(9-6-7-11-12-9)17-13-18(15,16)8-4-2-1-3-5-8/h1-7,13H,(H,11,12)
InChIKeyRCFZODPPWOLQBD-UHFFFAOYSA-N
XLogP0.46
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1H-pyrazole-5-carbonyl)phenyl]benzenesulfonamide
CID 134250666
phenyl 1H-pyrazole-5-carboperoxoate
CID 140563382
N-phenyl-1H-pyrazole-5-carboxamide
CID 680935
N'-benzoyl-1H-pyrazole-5-carbohydrazide
CID 12921225
1H-pyrazole-5-carboxylic acid;zinc
CID 158581218
N-[[(4S)-4-hydroxy-1-(1H-pyrazole-5-carbonyl)azepan-4-yl]methyl]benzenesulfonamide
CID 95714198
N-sulfanyloxybenzenesulfonamide
CID 173416385
[(4-methylphenyl)sulfonylamino] 2-methylbenzoate
CID 91412812
N-(benzenesulfonyl)benzenesulfonamide;silver
CID 175421278
N-[(1S)-1-phenylethyl]-1H-pyrazole-5-carboxamide
CID 90895766
N-(2-phenylpropan-2-yl)-1H-pyrazole-5-carboxamide
CID 47444796
2-(1H-pyrazol-5-yl)prop-2-enoic acid
CID 68994792

Frequently Asked Questions

What is the IUPAC name of benzenesulfonamido 1H-pyrazole-5-carboxylate?
The IUPAC name of benzenesulfonamido 1H-pyrazole-5-carboxylate (CID 174204990) is benzenesulfonamido 1H-pyrazole-5-carboxylate.
What is the SMILES notation for benzenesulfonamido 1H-pyrazole-5-carboxylate?
The canonical SMILES for benzenesulfonamido 1H-pyrazole-5-carboxylate is O=C(ONS(=O)(=O)c1ccccc1)c1ccn[nH]1.
What is the InChIKey of benzenesulfonamido 1H-pyrazole-5-carboxylate?
The InChIKey is RCFZODPPWOLQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4S/c14-10(9-6-7-11-12-9)17-13-18(15,16)8-4-2-1-3-5-8/h1-7,13H,(H,11,12).
What are the key properties of benzenesulfonamido 1H-pyrazole-5-carboxylate?
benzenesulfonamido 1H-pyrazole-5-carboxylate has a molecular weight of 267.27 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzenesulfonamido 1H-pyrazole-5-carboxylate is sourced from PubChem (CID 174204990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).