3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide

C15H17NO2S — CID 2423667

IUPAC3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N[C@H](C)c2ccccc2)c1
InChIInChI=1S/C15H17NO2S/c1-12-7-6-10-15(11-12)19(17,18)16-13(2)14-8-4-3-5-9-14/h3-11,13,16H,1-2H3/t13-/m1/s1
InChIKeyIUPUZXFOXLBVCP-CYBMUJFWSA-N
MW275.37 g/mol
LogP3.03
Rot. Bonds4

About 3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide

3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide (PubChem CID 2423667) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
PubChem CID2423667
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N[C@H](C)c2ccccc2)c1
InChIInChI=1S/C15H17NO2S/c1-12-7-6-10-15(11-12)19(17,18)16-13(2)14-8-4-3-5-9-14/h3-11,13,16H,1-2H3/t13-/m1/s1
InChIKeyIUPUZXFOXLBVCP-CYBMUJFWSA-N
XLogP3.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-phenylethyl)benzenesulfonamide;hydrochloride
CID 70281153
3-amino-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 30079896
3-(1-hydroxyethyl)-N-(1-phenylethyl)benzenesulfonamide
CID 43507304
3,4-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 2408945
N-[1-(2-aminophenyl)ethyl]-3-methylbenzenesulfonamide
CID 43298057
4-methoxy-3,5-dimethyl-N-(1-phenylethyl)benzenesulfonamide
CID 112822925
3-hydroxy-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 81259142
4-bromo-3-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 42998950
2-[(3-methylphenyl)sulfonylamino]-2-phenylethanethioamide
CID 61123888
3,4-dichloro-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 7038002
2,4,6-trimethyl-N-(1-phenylethyl)benzenesulfonamide
CID 3700148
N-(1-bromopropan-2-yl)-3-methylbenzenesulfonamide
CID 114294358

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide?
The IUPAC name of 3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide (CID 2423667) is 3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide?
The canonical SMILES for 3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide is Cc1cccc(S(=O)(=O)N[C@H](C)c2ccccc2)c1.
What is the InChIKey of 3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide?
The InChIKey is IUPUZXFOXLBVCP-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-12-7-6-10-15(11-12)19(17,18)16-13(2)14-8-4-3-5-9-14/h3-11,13,16H,1-2H3/t13-/m1/s1.
What are the key properties of 3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide?
3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide has a molecular weight of 275.37 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 2423667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).