4-fluoro-3-methyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide

C17H20FNO2S — CID 100695385

IUPAC4-fluoro-3-methyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)N[C@@H](C)CCc2ccccc2)ccc1F
InChIInChI=1S/C17H20FNO2S/c1-13-12-16(10-11-17(13)18)22(20,21)19-14(2)8-9-15-6-4-3-5-7-15/h3-7,10-12,14,19H,8-9H2,1-2H3/t14-/m0/s1
InChIKeyQPZJYVJOYAPBLB-AWEZNQCLSA-N
MW321.42 g/mol
LogP3.43
Rot. Bonds6

About 4-fluoro-3-methyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide

4-fluoro-3-methyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide (PubChem CID 100695385) has the molecular formula C17H20FNO2S and a molecular weight of 321.42 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide
PubChem CID100695385
Molecular FormulaC17H20FNO2S
Molecular Weight321.42 g/mol
Exact Mass321.12
IUPAC Name4-fluoro-3-methyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)N[C@@H](C)CCc2ccccc2)ccc1F
InChIInChI=1S/C17H20FNO2S/c1-13-12-16(10-11-17(13)18)22(20,21)19-14(2)8-9-15-6-4-3-5-7-15/h3-7,10-12,14,19H,8-9H2,1-2H3/t14-/m0/s1
InChIKeyQPZJYVJOYAPBLB-AWEZNQCLSA-N
XLogP3.43
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide
CID 40654245
4-fluoro-3-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 7314460
4-(2-methoxyethoxy)-3-methyl-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 55639102
4-ethyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide
CID 7765610
4-ethyl-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 3870865
3-N-[(2S)-4-phenylbutan-2-yl]benzene-1,3-disulfonamide
CID 31700846
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-3-phenylpropanamide
CID 10247434
3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide
CID 92682941
4-(2-methylbutan-2-yl)-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 3305277
4-methoxy-N-[(2S)-4-phenylbutan-2-yl]-3-propan-2-ylbenzenesulfonamide
CID 9181822
2-chloro-5-[[(2R)-4-phenylbutan-2-yl]sulfamoyl]benzoate
CID 2439942
2,5-dimethyl-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide
CID 7777692

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide (CID 100695385) is 4-fluoro-3-methyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide is Cc1cc(S(=O)(=O)N[C@@H](C)CCc2ccccc2)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide?
The InChIKey is QPZJYVJOYAPBLB-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20FNO2S/c1-13-12-16(10-11-17(13)18)22(20,21)19-14(2)8-9-15-6-4-3-5-7-15/h3-7,10-12,14,19H,8-9H2,1-2H3/t14-/m0/s1.
What are the key properties of 4-fluoro-3-methyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide?
4-fluoro-3-methyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide has a molecular weight of 321.42 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide is sourced from PubChem (CID 100695385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).