4-methyl-N-[(2S)-4-phenylbutan-2-yl]iminobenzenesulfonamide

C17H20N2O2S — CID 10935998

IUPAC4-methyl-N-[(2S)-4-phenylbutan-2-yl]iminobenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=N/[C@@H](C)CCc2ccccc2)cc1
InChIInChI=1S/C17H20N2O2S/c1-14-8-12-17(13-9-14)22(20,21)19-18-15(2)10-11-16-6-4-3-5-7-16/h3-9,12-13,15H,10-11H2,1-2H3/b19-18+/t15-/m0/s1
InChIKeyNDZBODQJWKDFNE-MJWGMMHASA-N
MW316.43 g/mol
LogP4.16
Rot. Bonds6

About 4-methyl-N-[(2S)-4-phenylbutan-2-yl]iminobenzenesulfonamide

4-methyl-N-[(2S)-4-phenylbutan-2-yl]iminobenzenesulfonamide (PubChem CID 10935998) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 4-methyl-N-[(2S)-4-phenylbutan-2-yl]iminobenzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(2S)-4-phenylbutan-2-yl]iminobenzenesulfonamide
PubChem CID10935998
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name4-methyl-N-[(2S)-4-phenylbutan-2-yl]iminobenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=N/[C@@H](C)CCc2ccccc2)cc1
InChIInChI=1S/C17H20N2O2S/c1-14-8-12-17(13-9-14)22(20,21)19-18-15(2)10-11-16-6-4-3-5-7-16/h3-9,12-13,15H,10-11H2,1-2H3/b19-18+/t15-/m0/s1
InChIKeyNDZBODQJWKDFNE-MJWGMMHASA-N
XLogP4.16
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(4-methylphenyl)sulfonyl-2-phenyl-N,N-di(propan-2-yl)ethanimidamide
CID 46225391
4-methyl-N-[1-(5-methylthiophen-2-yl)-3-phenylpropyl]benzenesulfonamide
CID 156775731
(1-oxo-4-phenylbutan-2-yl) 4-methylbenzenesulfonate
CID 11782120
(1,1-dichloro-4-phenylbutan-2-yl) 4-methylbenzenesulfonate
CID 134875264
N-[1-(4-chlorophenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide
CID 102575603
3-(4-methylphenyl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 9164941
N-[(1R)-1-(4-hydroxyphenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide
CID 134955383
4-methyl-N-[oxo-phenyl-[(E)-5-phenylpent-2-en-2-yl]-λ6-sulfanylidene]benzenesulfonamide
CID 134933102
4-methyl-N-[(3S)-4-oxo-1-phenylpentan-3-yl]benzenesulfonamide
CID 71199596
1-phenylhex-4-yn-3-yl 4-methylbenzenesulfonate
CID 138982909
4-methyl-N-(3-methyl-1-phenylnonan-4-yl)benzenesulfonamide
CID 171485855
N-[(1R)-1-(2-methoxyphenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide
CID 134955289

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2S)-4-phenylbutan-2-yl]iminobenzenesulfonamide?
The IUPAC name of 4-methyl-N-[(2S)-4-phenylbutan-2-yl]iminobenzenesulfonamide (CID 10935998) is 4-methyl-N-[(2S)-4-phenylbutan-2-yl]iminobenzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(2S)-4-phenylbutan-2-yl]iminobenzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(2S)-4-phenylbutan-2-yl]iminobenzenesulfonamide is Cc1ccc(S(=O)(=O)/N=N/[C@@H](C)CCc2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-[(2S)-4-phenylbutan-2-yl]iminobenzenesulfonamide?
The InChIKey is NDZBODQJWKDFNE-MJWGMMHASA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-14-8-12-17(13-9-14)22(20,21)19-18-15(2)10-11-16-6-4-3-5-7-16/h3-9,12-13,15H,10-11H2,1-2H3/b19-18+/t15-/m0/s1.
What are the key properties of 4-methyl-N-[(2S)-4-phenylbutan-2-yl]iminobenzenesulfonamide?
4-methyl-N-[(2S)-4-phenylbutan-2-yl]iminobenzenesulfonamide has a molecular weight of 316.43 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2S)-4-phenylbutan-2-yl]iminobenzenesulfonamide is sourced from PubChem (CID 10935998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).