3-fluoro-2-methyl-4-nitrobenzenesulfonamide

C7H7FN2O4S — CID 135743403

IUPAC3-fluoro-2-methyl-4-nitrobenzenesulfonamide
SMILESCc1c(S(N)(=O)=O)ccc([N+](=O)[O-])c1F
InChIInChI=1S/C7H7FN2O4S/c1-4-6(15(9,13)14)3-2-5(7(4)8)10(11)12/h2-3H,1H3,(H2,9,13,14)
InChIKeyBDMNNGGGKTVYNK-UHFFFAOYSA-N
MW234.21 g/mol
LogP0.69
Rot. Bonds2

About 3-fluoro-2-methyl-4-nitrobenzenesulfonamide

3-fluoro-2-methyl-4-nitrobenzenesulfonamide (PubChem CID 135743403) has the molecular formula C7H7FN2O4S and a molecular weight of 234.21 g/mol. Its IUPAC name is 3-fluoro-2-methyl-4-nitrobenzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-2-methyl-4-nitrobenzenesulfonamide
PubChem CID135743403
Molecular FormulaC7H7FN2O4S
Molecular Weight234.21 g/mol
Exact Mass234.01
IUPAC Name3-fluoro-2-methyl-4-nitrobenzenesulfonamide
SMILESCc1c(S(N)(=O)=O)ccc([N+](=O)[O-])c1F
InChIInChI=1S/C7H7FN2O4S/c1-4-6(15(9,13)14)3-2-5(7(4)8)10(11)12/h2-3H,1H3,(H2,9,13,14)
InChIKeyBDMNNGGGKTVYNK-UHFFFAOYSA-N
XLogP0.69
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-methyl-2,4-dinitrobenzenesulfonamide
CID 87787870
2,4-dimethyl-3-nitrobenzenesulfonamide
CID 118990328
2-methyl-3-(4-methylpyrazol-1-yl)-4-nitrobenzenesulfonamide
CID 175749220
2-methyl-3,5-dinitrobenzenesulfonamide
CID 4554776
3-fluoro-2,4-dinitrobenzenesulfonic acid
CID 21151034
3-fluoro-N,N,2-trimethyl-4-nitroaniline
CID 130865181
2-methylsulfonyl-3-nitrobenzenesulfonamide
CID 142790539
5-chloro-2-methyl-3-nitrobenzenesulfonamide
CID 63839847
2-(bromomethyl)-1-ethylsulfonyl-3-fluoro-4-nitrobenzene
CID 174795649
2-fluoro-6-methyl-3-nitrobenzenethiol
CID 130982536
3-bromo-2-methyl-4-nitrobenzenesulfonyl chloride
CID 131469700
(1R)-1-(2,6-difluoro-3-nitrophenyl)ethanamine
CID 130623975

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methyl-4-nitrobenzenesulfonamide?
The IUPAC name of 3-fluoro-2-methyl-4-nitrobenzenesulfonamide (CID 135743403) is 3-fluoro-2-methyl-4-nitrobenzenesulfonamide.
What is the SMILES notation for 3-fluoro-2-methyl-4-nitrobenzenesulfonamide?
The canonical SMILES for 3-fluoro-2-methyl-4-nitrobenzenesulfonamide is Cc1c(S(N)(=O)=O)ccc([N+](=O)[O-])c1F.
What is the InChIKey of 3-fluoro-2-methyl-4-nitrobenzenesulfonamide?
The InChIKey is BDMNNGGGKTVYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O4S/c1-4-6(15(9,13)14)3-2-5(7(4)8)10(11)12/h2-3H,1H3,(H2,9,13,14).
What are the key properties of 3-fluoro-2-methyl-4-nitrobenzenesulfonamide?
3-fluoro-2-methyl-4-nitrobenzenesulfonamide has a molecular weight of 234.21 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methyl-4-nitrobenzenesulfonamide is sourced from PubChem (CID 135743403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).