4-amino-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide

C11H14N4O2S — CID 104617220

IUPAC4-amino-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide
SMILESCCc1cn[nH]c1NS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C11H14N4O2S/c1-2-8-7-13-14-11(8)15-18(16,17)10-5-3-9(12)4-6-10/h3-7H,2,12H2,1H3,(H2,13,14,15)
InChIKeyGRVNMVIMQJTCKB-UHFFFAOYSA-N
MW266.33 g/mol
LogP1.36
Rot. Bonds4

About 4-amino-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide

4-amino-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide (PubChem CID 104617220) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 4-amino-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide
PubChem CID104617220
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name4-amino-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide
SMILESCCc1cn[nH]c1NS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C11H14N4O2S/c1-2-8-7-13-14-11(8)15-18(16,17)10-5-3-9(12)4-6-10/h3-7H,2,12H2,1H3,(H2,13,14,15)
InChIKeyGRVNMVIMQJTCKB-UHFFFAOYSA-N
XLogP1.36
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104620964
5-amino-2-ethyl-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104617190
3-amino-N-(4-ethyl-1H-pyrazol-5-yl)-4-hydroxybenzenesulfonamide
CID 104617188
N-(4-ethyl-1H-pyrazol-5-yl)-3-methylbenzenesulfonamide
CID 113433884
N-(4-ethyl-1H-pyrazol-5-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 104620967
N-(4-ethyl-1H-pyrazol-5-yl)-3-fluorobenzenesulfonamide
CID 104620974
3-amino-4-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-5-methylbenzenesulfonamide
CID 104617199
6-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2,3-dimethylbenzenesulfonamide
CID 104617205
2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-4,5-dimethylbenzenesulfonamide
CID 104617260
N-(4-ethyl-1H-pyrazol-5-yl)-5-fluoropyridine-3-sulfonamide
CID 113433882
N-(4-ethyl-1H-pyrazol-5-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 104621139
N-(4-ethyl-1H-pyrazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 104621164

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide (CID 104617220) is 4-amino-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide is CCc1cn[nH]c1NS(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide?
The InChIKey is GRVNMVIMQJTCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-2-8-7-13-14-11(8)15-18(16,17)10-5-3-9(12)4-6-10/h3-7H,2,12H2,1H3,(H2,13,14,15).
What are the key properties of 4-amino-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide?
4-amino-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide has a molecular weight of 266.33 g/mol, XLogP of 1.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 104617220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).