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

C15H17NO2S — CID 704454

IUPAC4-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C15H17NO2S/c1-12-8-10-15(11-9-12)19(17,18)16-13(2)14-6-4-3-5-7-14/h3-11,13,16H,1-2H3/t13-/m1/s1
InChIKeyLNYSGUPQTHXQMJ-CYBMUJFWSA-N
MW275.37 g/mol
LogP3.03
Rot. Bonds4

About 4-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide

4-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide (PubChem CID 704454) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 4-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
PubChem CID704454
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name4-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C15H17NO2S/c1-12-8-10-15(11-9-12)19(17,18)16-13(2)14-6-4-3-5-7-14/h3-11,13,16H,1-2H3/t13-/m1/s1
InChIKeyLNYSGUPQTHXQMJ-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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide (CID 704454) is 4-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide?
The InChIKey is LNYSGUPQTHXQMJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-12-8-10-15(11-9-12)19(17,18)16-13(2)14-6-4-3-5-7-14/h3-11,13,16H,1-2H3/t13-/m1/s1.
What are the key properties of 4-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide?
4-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 4-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 704454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).