1-[(2-fluoro-3-nitrophenyl)methyl]pyrazole-4-sulfonamide

C10H9FN4O4S — CID 107353788

IUPAC1-[(2-fluoro-3-nitrophenyl)methyl]pyrazole-4-sulfonamide
SMILESNS(=O)(=O)c1cnn(Cc2cccc([N+](=O)[O-])c2F)c1
InChIInChI=1S/C10H9FN4O4S/c11-10-7(2-1-3-9(10)15(16)17)5-14-6-8(4-13-14)20(12,18)19/h1-4,6H,5H2,(H2,12,18,19)
InChIKeyNFMWOIQVMKEWIB-UHFFFAOYSA-N
MW300.27 g/mol
LogP0.63
Rot. Bonds4

About 1-[(2-fluoro-3-nitrophenyl)methyl]pyrazole-4-sulfonamide

1-[(2-fluoro-3-nitrophenyl)methyl]pyrazole-4-sulfonamide (PubChem CID 107353788) has the molecular formula C10H9FN4O4S and a molecular weight of 300.27 g/mol. Its IUPAC name is 1-[(2-fluoro-3-nitrophenyl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[(2-fluoro-3-nitrophenyl)methyl]pyrazole-4-sulfonamide
PubChem CID107353788
Molecular FormulaC10H9FN4O4S
Molecular Weight300.27 g/mol
Exact Mass300.03
IUPAC Name1-[(2-fluoro-3-nitrophenyl)methyl]pyrazole-4-sulfonamide
SMILESNS(=O)(=O)c1cnn(Cc2cccc([N+](=O)[O-])c2F)c1
InChIInChI=1S/C10H9FN4O4S/c11-10-7(2-1-3-9(10)15(16)17)5-14-6-8(4-13-14)20(12,18)19/h1-4,6H,5H2,(H2,12,18,19)
InChIKeyNFMWOIQVMKEWIB-UHFFFAOYSA-N
XLogP0.63
TPSA121.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 50.63
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-nitrophenyl)methyl]pyrazole-4-sulfonamide
CID 79001287
1-[(2-fluorophenyl)methyl]pyrazole-4-sulfonamide
CID 79001284
N-[[1-[(2-fluoro-3-nitrophenyl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 107353549
1-[(2-chloro-6-nitrophenyl)methyl]pyrazole-4-sulfonyl chloride
CID 63746853
1-[(2-fluoro-3-nitrophenyl)methyl]pyrazole-3-carboxylic acid
CID 107349890
1-[(3-chloro-2-fluorophenyl)methyl]-3-nitropyrazole-4-sulfonamide
CID 102864681
1-[(2-fluoro-3-nitrophenyl)methyl]-4,5,6,7-tetrahydrobenzimidazole
CID 107348570
1-[(2,5-dichlorophenyl)methyl]pyrazole-4-sulfonamide
CID 81340006
1-[(3-chlorophenyl)methyl]pyrazole-4-sulfonamide
CID 63278705
1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-sulfonamide
CID 79001292
1-(bromomethyl)-2-fluoro-3-nitrobenzene
CID 59139151
CID 159928766
CID 159928766

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-3-nitrophenyl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-[(2-fluoro-3-nitrophenyl)methyl]pyrazole-4-sulfonamide (CID 107353788) is 1-[(2-fluoro-3-nitrophenyl)methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-[(2-fluoro-3-nitrophenyl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-[(2-fluoro-3-nitrophenyl)methyl]pyrazole-4-sulfonamide is NS(=O)(=O)c1cnn(Cc2cccc([N+](=O)[O-])c2F)c1.
What is the InChIKey of 1-[(2-fluoro-3-nitrophenyl)methyl]pyrazole-4-sulfonamide?
The InChIKey is NFMWOIQVMKEWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O4S/c11-10-7(2-1-3-9(10)15(16)17)5-14-6-8(4-13-14)20(12,18)19/h1-4,6H,5H2,(H2,12,18,19).
What are the key properties of 1-[(2-fluoro-3-nitrophenyl)methyl]pyrazole-4-sulfonamide?
1-[(2-fluoro-3-nitrophenyl)methyl]pyrazole-4-sulfonamide has a molecular weight of 300.27 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-3-nitrophenyl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 107353788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).