4-ethyl-N-(4-phenylbutan-2-yl)benzenesulfonamide

C18H23NO2S — CID 3870865

IUPAC4-ethyl-N-(4-phenylbutan-2-yl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NC(C)CCc2ccccc2)cc1
InChIInChI=1S/C18H23NO2S/c1-3-16-11-13-18(14-12-16)22(20,21)19-15(2)9-10-17-7-5-4-6-8-17/h4-8,11-15,19H,3,9-10H2,1-2H3
InChIKeyXXVKTBROOSSZNB-UHFFFAOYSA-N
MW317.45 g/mol
LogP3.55
Rot. Bonds7

About 4-ethyl-N-(4-phenylbutan-2-yl)benzenesulfonamide

4-ethyl-N-(4-phenylbutan-2-yl)benzenesulfonamide (PubChem CID 3870865) has the molecular formula C18H23NO2S and a molecular weight of 317.45 g/mol. Its IUPAC name is 4-ethyl-N-(4-phenylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-(4-phenylbutan-2-yl)benzenesulfonamide
PubChem CID3870865
Molecular FormulaC18H23NO2S
Molecular Weight317.45 g/mol
Exact Mass317.14
IUPAC Name4-ethyl-N-(4-phenylbutan-2-yl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NC(C)CCc2ccccc2)cc1
InChIInChI=1S/C18H23NO2S/c1-3-16-11-13-18(14-12-16)22(20,21)19-15(2)9-10-17-7-5-4-6-8-17/h4-8,11-15,19H,3,9-10H2,1-2H3
InChIKeyXXVKTBROOSSZNB-UHFFFAOYSA-N
XLogP3.55
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.45
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide
CID 7765610
4-ethyl-N-pentan-2-ylbenzenesulfonamide
CID 19681870
4-(2-methylbutan-2-yl)-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 3305277
3-fluoro-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide
CID 40654245
6-oxo-N-(4-phenylbutan-2-yl)-1H-pyridine-3-sulfonamide
CID 43629384
4-(2,5-dioxopyrrolidin-1-yl)-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 133164761
6-chloro-N-[(2S)-4-phenylbutan-2-yl]pyridine-3-sulfonamide
CID 7510271
4-fluoro-3-methyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide
CID 100695385
3-N-[(2S)-4-phenylbutan-2-yl]benzene-1,3-disulfonamide
CID 31700846
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
methyl 3-[[(2S)-4-phenylbutan-2-yl]sulfamoyl]benzoate
CID 31700850

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(4-phenylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 4-ethyl-N-(4-phenylbutan-2-yl)benzenesulfonamide (CID 3870865) is 4-ethyl-N-(4-phenylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-(4-phenylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-(4-phenylbutan-2-yl)benzenesulfonamide is CCc1ccc(S(=O)(=O)NC(C)CCc2ccccc2)cc1.
What is the InChIKey of 4-ethyl-N-(4-phenylbutan-2-yl)benzenesulfonamide?
The InChIKey is XXVKTBROOSSZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2S/c1-3-16-11-13-18(14-12-16)22(20,21)19-15(2)9-10-17-7-5-4-6-8-17/h4-8,11-15,19H,3,9-10H2,1-2H3.
What are the key properties of 4-ethyl-N-(4-phenylbutan-2-yl)benzenesulfonamide?
4-ethyl-N-(4-phenylbutan-2-yl)benzenesulfonamide has a molecular weight of 317.45 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(4-phenylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 3870865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).