2-amino-4-fluoro-N-methyl-N-(2-methylbutyl)benzenesulfonamide

C12H19FN2O2S — CID 43295505

IUPAC2-amino-4-fluoro-N-methyl-N-(2-methylbutyl)benzenesulfonamide
SMILESCCC(C)CN(C)S(=O)(=O)c1ccc(F)cc1N
InChIInChI=1S/C12H19FN2O2S/c1-4-9(2)8-15(3)18(16,17)12-6-5-10(13)7-11(12)14/h5-7,9H,4,8,14H2,1-3H3
InChIKeyQIQOQTWPDVFTSL-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.07
Rot. Bonds5

About 2-amino-4-fluoro-N-methyl-N-(2-methylbutyl)benzenesulfonamide

2-amino-4-fluoro-N-methyl-N-(2-methylbutyl)benzenesulfonamide (PubChem CID 43295505) has the molecular formula C12H19FN2O2S and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-amino-4-fluoro-N-methyl-N-(2-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-fluoro-N-methyl-N-(2-methylbutyl)benzenesulfonamide
PubChem CID43295505
Molecular FormulaC12H19FN2O2S
Molecular Weight274.36 g/mol
Exact Mass274.12
IUPAC Name2-amino-4-fluoro-N-methyl-N-(2-methylbutyl)benzenesulfonamide
SMILESCCC(C)CN(C)S(=O)(=O)c1ccc(F)cc1N
InChIInChI=1S/C12H19FN2O2S/c1-4-9(2)8-15(3)18(16,17)12-6-5-10(13)7-11(12)14/h5-7,9H,4,8,14H2,1-3H3
InChIKeyQIQOQTWPDVFTSL-UHFFFAOYSA-N
XLogP2.07
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Aminobenzenesulfonamide
CID 72894
4-amino-N,N-diethylbenzene-1-sulfonamide
CID 95067
2-Amino-N-cyclohexyl-N-methylbenzenesulfonamide
CID 116814
Benzenesulfonamide, 4-amino-N,N-dimethyl-
CID 74369
4-Amino-N-(2-methylpropyl)benzenesulfonamide
CID 860617
3-amino-N,N-dimethylbenzene-1-sulfonamide
CID 235520
4-Amino-N-cyclohexyl-N-methylbenzene-1-sulfonamide
CID 344191
Benzenesulfonamide, 2-amino-N-ethyl-N-phenyl-
CID 66472
2-amino-N-methylbenzene-1-sulfonamide
CID 1132840
2-(Methylamino)benzene-1-sulfonamide
CID 12528494
Benzenesulfonamide, 2-amino-N-cyclohexyl-N-ethyl-
CID 86459
Benzenamine, 2-[(hexahydro-1H-azepin-1-yl)sulfonyl]-
CID 16788586

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-N-methyl-N-(2-methylbutyl)benzenesulfonamide?
The IUPAC name of 2-amino-4-fluoro-N-methyl-N-(2-methylbutyl)benzenesulfonamide (CID 43295505) is 2-amino-4-fluoro-N-methyl-N-(2-methylbutyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-fluoro-N-methyl-N-(2-methylbutyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-fluoro-N-methyl-N-(2-methylbutyl)benzenesulfonamide is CCC(C)CN(C)S(=O)(=O)c1ccc(F)cc1N.
What is the InChIKey of 2-amino-4-fluoro-N-methyl-N-(2-methylbutyl)benzenesulfonamide?
The InChIKey is QIQOQTWPDVFTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O2S/c1-4-9(2)8-15(3)18(16,17)12-6-5-10(13)7-11(12)14/h5-7,9H,4,8,14H2,1-3H3.
What are the key properties of 2-amino-4-fluoro-N-methyl-N-(2-methylbutyl)benzenesulfonamide?
2-amino-4-fluoro-N-methyl-N-(2-methylbutyl)benzenesulfonamide has a molecular weight of 274.36 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoro-N-methyl-N-(2-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 43295505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).