N-methyl-N-(1-phenylethyl)benzenesulfonamide

C15H17NO2S — CID 23331017

IUPACN-methyl-N-(1-phenylethyl)benzenesulfonamide
SMILESCC(c1ccccc1)N(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H17NO2S/c1-13(14-9-5-3-6-10-14)16(2)19(17,18)15-11-7-4-8-12-15/h3-13H,1-2H3
InChIKeyXIKFAFCEWVXDKP-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.07
Rot. Bonds4

About N-methyl-N-(1-phenylethyl)benzenesulfonamide

N-methyl-N-(1-phenylethyl)benzenesulfonamide (PubChem CID 23331017) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is N-methyl-N-(1-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(1-phenylethyl)benzenesulfonamide
PubChem CID23331017
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC NameN-methyl-N-(1-phenylethyl)benzenesulfonamide
SMILESCC(c1ccccc1)N(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H17NO2S/c1-13(14-9-5-3-6-10-14)16(2)19(17,18)15-11-7-4-8-12-15/h3-13H,1-2H3
InChIKeyXIKFAFCEWVXDKP-UHFFFAOYSA-N
XLogP3.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-N-methylbenzenesulfonamide
CID 102147308
N-[1-(4-fluorophenyl)ethyl]-N-methylbenzenesulfonamide
CID 47096598
3-bromo-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 46557682
3-acetyl-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 43021359
N-chloro-N-(1-phenylethyl)benzenesulfonamide
CID 12844430
2-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 18192076
N-methyl-N-pentan-2-ylbenzenesulfonamide
CID 60763176
4-bromo-3-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 103697221
N-methyl-2-oxo-N-[(1S)-1-phenylethyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 8819167
N-(3-hydroxy-1-phenylpropyl)-N-methylbenzenesulfonamide
CID 69444505
N-(4-aminobutan-2-yl)-N-methylbenzenesulfonamide
CID 63225180
1-chloro-N-methyl-N-(1-phenylethyl)methanesulfonamide
CID 63665534

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-phenylethyl)benzenesulfonamide?
The IUPAC name of N-methyl-N-(1-phenylethyl)benzenesulfonamide (CID 23331017) is N-methyl-N-(1-phenylethyl)benzenesulfonamide.
What is the SMILES notation for N-methyl-N-(1-phenylethyl)benzenesulfonamide?
The canonical SMILES for N-methyl-N-(1-phenylethyl)benzenesulfonamide is CC(c1ccccc1)N(C)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-methyl-N-(1-phenylethyl)benzenesulfonamide?
The InChIKey is XIKFAFCEWVXDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-13(14-9-5-3-6-10-14)16(2)19(17,18)15-11-7-4-8-12-15/h3-13H,1-2H3.
What are the key properties of N-methyl-N-(1-phenylethyl)benzenesulfonamide?
N-methyl-N-(1-phenylethyl)benzenesulfonamide has a molecular weight of 275.37 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 23331017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).