4-fluoro-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide

C15H24FNO2S — CID 102913112

IUPAC4-fluoro-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCC(C(C)C)C(C)C
InChIInChI=1S/C15H24FNO2S/c1-10(2)14(11(3)4)9-17-20(18,19)15-7-6-13(16)8-12(15)5/h6-8,10-11,14,17H,9H2,1-5H3
InChIKeyVFPJODXMHGNXTB-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.34
Rot. Bonds6

About 4-fluoro-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide

4-fluoro-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide (PubChem CID 102913112) has the molecular formula C15H24FNO2S and a molecular weight of 301.43 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
PubChem CID102913112
Molecular FormulaC15H24FNO2S
Molecular Weight301.43 g/mol
Exact Mass301.15
IUPAC Name4-fluoro-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCC(C(C)C)C(C)C
InChIInChI=1S/C15H24FNO2S/c1-10(2)14(11(3)4)9-17-20(18,19)15-7-6-13(16)8-12(15)5/h6-8,10-11,14,17H,9H2,1-5H3
InChIKeyVFPJODXMHGNXTB-UHFFFAOYSA-N
XLogP3.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bromopropyl)-4-fluoro-2-methylbenzenesulfonamide
CID 114295737
2-amino-4-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102903293
N-(2-bromo-4-methylpentyl)-4-fluoro-2-methylbenzenesulfonamide
CID 107158198
4-[(4-fluoro-2-methylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 81066027
5-fluoro-2-(hydroxymethyl)-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102919985
4-fluoro-N-[2-(2-hydroxypropylamino)ethyl]-2-methylbenzenesulfonamide
CID 104593925
4-bromo-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102907724
4-amino-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102903343
2-bromo-4-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102907709
3-[(4-fluoro-2-methylphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 66174634
2-amino-N-(2,3-dimethylbutyl)-4-fluorobenzenesulfonamide
CID 64568404
4-fluoro-N-(4-iodobutyl)-2-methylbenzenesulfonamide
CID 106846623

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide (CID 102913112) is 4-fluoro-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)NCC(C(C)C)C(C)C.
What is the InChIKey of 4-fluoro-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide?
The InChIKey is VFPJODXMHGNXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO2S/c1-10(2)14(11(3)4)9-17-20(18,19)15-7-6-13(16)8-12(15)5/h6-8,10-11,14,17H,9H2,1-5H3.
What are the key properties of 4-fluoro-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide?
4-fluoro-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide has a molecular weight of 301.43 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide is sourced from PubChem (CID 102913112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).