N-(1H-pyrazol-5-yl)benzenesulfonamide

C9H9N3O2S — CID 21254985

IUPACN-(1H-pyrazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccn[nH]1)c1ccccc1
InChIInChI=1S/C9H9N3O2S/c13-15(14,8-4-2-1-3-5-8)12-9-6-7-10-11-9/h1-7H,(H2,10,11,12)
InChIKeyIGCQXMQOKRXHHN-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.21
Rot. Bonds3

About N-(1H-pyrazol-5-yl)benzenesulfonamide

N-(1H-pyrazol-5-yl)benzenesulfonamide (PubChem CID 21254985) has the molecular formula C9H9N3O2S and a molecular weight of 223.26 g/mol. Its IUPAC name is N-(1H-pyrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1H-pyrazol-5-yl)benzenesulfonamide
PubChem CID21254985
Molecular FormulaC9H9N3O2S
Molecular Weight223.26 g/mol
Exact Mass223.04
IUPAC NameN-(1H-pyrazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccn[nH]1)c1ccccc1
InChIInChI=1S/C9H9N3O2S/c13-15(14,8-4-2-1-3-5-8)12-9-6-7-10-11-9/h1-7H,(H2,10,11,12)
InChIKeyIGCQXMQOKRXHHN-UHFFFAOYSA-N
XLogP1.21
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-5-yl)benzenesulfonamide?
The IUPAC name of N-(1H-pyrazol-5-yl)benzenesulfonamide (CID 21254985) is N-(1H-pyrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-(1H-pyrazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-(1H-pyrazol-5-yl)benzenesulfonamide is O=S(=O)(Nc1ccn[nH]1)c1ccccc1.
What is the InChIKey of N-(1H-pyrazol-5-yl)benzenesulfonamide?
The InChIKey is IGCQXMQOKRXHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S/c13-15(14,8-4-2-1-3-5-8)12-9-6-7-10-11-9/h1-7H,(H2,10,11,12).
What are the key properties of N-(1H-pyrazol-5-yl)benzenesulfonamide?
N-(1H-pyrazol-5-yl)benzenesulfonamide has a molecular weight of 223.26 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 21254985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).