1-[(2-nitrophenyl)methyl]pyrazole-4-sulfonamide

C10H10N4O4S — CID 79001287

IUPAC1-[(2-nitrophenyl)methyl]pyrazole-4-sulfonamide
SMILESNS(=O)(=O)c1cnn(Cc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C10H10N4O4S/c11-19(17,18)9-5-12-13(7-9)6-8-3-1-2-4-10(8)14(15)16/h1-5,7H,6H2,(H2,11,17,18)
InChIKeyOAAFAFSJPJXHKT-UHFFFAOYSA-N
MW282.28 g/mol
LogP0.49
Rot. Bonds4

About 1-[(2-nitrophenyl)methyl]pyrazole-4-sulfonamide

1-[(2-nitrophenyl)methyl]pyrazole-4-sulfonamide (PubChem CID 79001287) has the molecular formula C10H10N4O4S and a molecular weight of 282.28 g/mol. Its IUPAC name is 1-[(2-nitrophenyl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[(2-nitrophenyl)methyl]pyrazole-4-sulfonamide
PubChem CID79001287
Molecular FormulaC10H10N4O4S
Molecular Weight282.28 g/mol
Exact Mass282.04
IUPAC Name1-[(2-nitrophenyl)methyl]pyrazole-4-sulfonamide
SMILESNS(=O)(=O)c1cnn(Cc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C10H10N4O4S/c11-19(17,18)9-5-12-13(7-9)6-8-3-1-2-4-10(8)14(15)16/h1-5,7H,6H2,(H2,11,17,18)
InChIKeyOAAFAFSJPJXHKT-UHFFFAOYSA-N
XLogP0.49
TPSA121.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-fluoro-3-nitrophenyl)methyl]pyrazole-4-sulfonamide
CID 107353788
1-[(2-fluorophenyl)methyl]pyrazole-4-sulfonamide
CID 79001284
1-[(2-chloro-6-nitrophenyl)methyl]pyrazole-4-sulfonyl chloride
CID 63746853
1-[(2,5-dichlorophenyl)methyl]pyrazole-4-sulfonamide
CID 81340006
1-[(3-chlorophenyl)methyl]pyrazole-4-sulfonamide
CID 63278705
2-nitro-6-[(4-nitropyrazol-1-yl)methyl]benzoic acid
CID 104825592
1-[(2-fluorophenyl)methyl]-4-nitropyrazole
CID 573054
[1-[(2-nitrophenyl)methyl]imidazol-4-yl]methanamine
CID 106718040
1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-sulfonamide
CID 79001292
2-(2-nitrophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 41419267
1-[1-[2-(2-nitrophenyl)ethyl]pyrazol-4-yl]ethanone
CID 63064038
2-[(4-bromopyrazol-1-yl)methyl]-N-ethyl-6-nitroaniline
CID 107351821

Frequently Asked Questions

What is the IUPAC name of 1-[(2-nitrophenyl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-[(2-nitrophenyl)methyl]pyrazole-4-sulfonamide (CID 79001287) is 1-[(2-nitrophenyl)methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-[(2-nitrophenyl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-[(2-nitrophenyl)methyl]pyrazole-4-sulfonamide is NS(=O)(=O)c1cnn(Cc2ccccc2[N+](=O)[O-])c1.
What is the InChIKey of 1-[(2-nitrophenyl)methyl]pyrazole-4-sulfonamide?
The InChIKey is OAAFAFSJPJXHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O4S/c11-19(17,18)9-5-12-13(7-9)6-8-3-1-2-4-10(8)14(15)16/h1-5,7H,6H2,(H2,11,17,18).
What are the key properties of 1-[(2-nitrophenyl)methyl]pyrazole-4-sulfonamide?
1-[(2-nitrophenyl)methyl]pyrazole-4-sulfonamide has a molecular weight of 282.28 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-nitrophenyl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 79001287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).