N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide

C16H19NO3S — CID 81368862

IUPACN-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide
SMILESCOc1ccc([C@H](C)NS(=O)(=O)c2ccccc2C)cc1
InChIInChI=1S/C16H19NO3S/c1-12-6-4-5-7-16(12)21(18,19)17-13(2)14-8-10-15(20-3)11-9-14/h4-11,13,17H,1-3H3/t13-/m0/s1
InChIKeyPASIECXLBRYENA-ZDUSSCGKSA-N
MW305.40 g/mol
LogP3.04
Rot. Bonds5

About N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide

N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide (PubChem CID 81368862) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide
PubChem CID81368862
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide
SMILESCOc1ccc([C@H](C)NS(=O)(=O)c2ccccc2C)cc1
InChIInChI=1S/C16H19NO3S/c1-12-6-4-5-7-16(12)21(18,19)17-13(2)14-8-10-15(20-3)11-9-14/h4-11,13,17H,1-3H3/t13-/m0/s1
InChIKeyPASIECXLBRYENA-ZDUSSCGKSA-N
XLogP3.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide
CID 45368198
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 81349529
4-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 100585926
5-(dimethylamino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]naphthalene-1-sulfonamide
CID 74227480
N-[(1S)-1-(4-methoxyphenyl)ethyl]methanesulfonamide
CID 81363887
4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 4092765
2,5-dimethoxy-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 3852201
2-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-5-methylbenzenesulfonamide
CID 28560394
N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 93487532
4-methoxy-2-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 110724539
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 74226638
2-methoxy-4,5-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 40921810

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide?
The IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide (CID 81368862) is N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide?
The canonical SMILES for N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide is COc1ccc([C@H](C)NS(=O)(=O)c2ccccc2C)cc1.
What is the InChIKey of N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide?
The InChIKey is PASIECXLBRYENA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-12-6-4-5-7-16(12)21(18,19)17-13(2)14-8-10-15(20-3)11-9-14/h4-11,13,17H,1-3H3/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide?
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 81368862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).