3,4-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide

C16H19NO2S — CID 2408945

IUPAC3,4-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1C
InChIInChI=1S/C16H19NO2S/c1-12-9-10-16(11-13(12)2)20(18,19)17-14(3)15-7-5-4-6-8-15/h4-11,14,17H,1-3H3/t14-/m0/s1
InChIKeyACMAXCVWCHQCOE-AWEZNQCLSA-N
MW289.40 g/mol
LogP3.34
Rot. Bonds4

About 3,4-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide

3,4-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide (PubChem CID 2408945) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 3,4-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
PubChem CID2408945
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name3,4-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1C
InChIInChI=1S/C16H19NO2S/c1-12-9-10-16(11-13(12)2)20(18,19)17-14(3)15-7-5-4-6-8-15/h4-11,14,17H,1-3H3/t14-/m0/s1
InChIKeyACMAXCVWCHQCOE-AWEZNQCLSA-N
XLogP3.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 42998950
3-(aminomethyl)-4-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 106036342
4-methyl-3-nitro-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 7322854
3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 2423667
4-ethoxy-3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 7377815
4-methoxy-3,5-dimethyl-N-(1-phenylethyl)benzenesulfonamide
CID 112822925
3,4-dichloro-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 7038002
N-(1-phenylethyl)benzenesulfonamide;hydrochloride
CID 70281153
3-methyl-N-(1-phenylethyl)-4-propoxybenzenesulfonamide
CID 45100411
N-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethylbenzenesulfonamide
CID 8817485
3-amino-4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 43111821
3-iodo-4-methoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 1294098

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide (CID 2408945) is 3,4-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide?
The InChIKey is ACMAXCVWCHQCOE-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-12-9-10-16(11-13(12)2)20(18,19)17-14(3)15-7-5-4-6-8-15/h4-11,14,17H,1-3H3/t14-/m0/s1.
What are the key properties of 3,4-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide?
3,4-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide has a molecular weight of 289.40 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 2408945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).