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

C17H21NO2S — CID 2916062

IUPAC4-methyl-N-(4-phenylbutan-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)CCc2ccccc2)cc1
InChIInChI=1S/C17H21NO2S/c1-14-8-12-17(13-9-14)21(19,20)18-15(2)10-11-16-6-4-3-5-7-16/h3-9,12-13,15,18H,10-11H2,1-2H3
InChIKeyYRYMLTSEHHHZBP-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.29
Rot. Bonds6

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

4-methyl-N-(4-phenylbutan-2-yl)benzenesulfonamide (PubChem CID 2916062) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is 4-methyl-N-(4-phenylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(4-phenylbutan-2-yl)benzenesulfonamide
PubChem CID2916062
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC Name4-methyl-N-(4-phenylbutan-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)CCc2ccccc2)cc1
InChIInChI=1S/C17H21NO2S/c1-14-8-12-17(13-9-14)21(19,20)18-15(2)10-11-16-6-4-3-5-7-16/h3-9,12-13,15,18H,10-11H2,1-2H3
InChIKeyYRYMLTSEHHHZBP-UHFFFAOYSA-N
XLogP3.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-Cyclohexyl-4-methylbenzenesulfonamide
CID 6633
N-Methyl-p-toluenesulfonamide
CID 12543
N-Ethyl-p-toluenesulfonamide
CID 6637
4-(2-Aminoethyl)benzenesulfonamide
CID 169682
N-Butyl-p-toluenesulfonamide
CID 61285
p-Toluenesulfonamide, N-benzyl-
CID 95801
4-(2-Aminoethyl)Benzenesulfonyl Fluoride
CID 1701
Benzenesulfonamide, N-benzyl-
CID 95236
N-cyclopropyl-4-methylbenzene-1-sulfonamide
CID 4190095
N,N'-Di-p-tosyl-1,3-diaminopropane
CID 3731938
(2-Cyclohex-1-enylethyl)[(4-methylphenyl)sulfonyl]amine
CID 737669
dodecylbenzenesulfonic acid, isopropylamine salt
CID 24180684

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-phenylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(4-phenylbutan-2-yl)benzenesulfonamide (CID 2916062) is 4-methyl-N-(4-phenylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(4-phenylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(4-phenylbutan-2-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NC(C)CCc2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-(4-phenylbutan-2-yl)benzenesulfonamide?
The InChIKey is YRYMLTSEHHHZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-14-8-12-17(13-9-14)21(19,20)18-15(2)10-11-16-6-4-3-5-7-16/h3-9,12-13,15,18H,10-11H2,1-2H3.
What are the key properties of 4-methyl-N-(4-phenylbutan-2-yl)benzenesulfonamide?
4-methyl-N-(4-phenylbutan-2-yl)benzenesulfonamide has a molecular weight of 303.43 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-phenylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 2916062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).