N-[1-(3-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide

C16H19NO3S — CID 45368198

IUPACN-[1-(3-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide
SMILESCOc1cccc(C(C)NS(=O)(=O)c2ccccc2C)c1
InChIInChI=1S/C16H19NO3S/c1-12-7-4-5-10-16(12)21(18,19)17-13(2)14-8-6-9-15(11-14)20-3/h4-11,13,17H,1-3H3
InChIKeyHKSTZRGFCDQVRN-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.04
Rot. Bonds5

About N-[1-(3-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide

N-[1-(3-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide (PubChem CID 45368198) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide
PubChem CID45368198
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-[1-(3-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide
SMILESCOc1cccc(C(C)NS(=O)(=O)c2ccccc2C)c1
InChIInChI=1S/C16H19NO3S/c1-12-7-4-5-10-16(12)21(18,19)17-13(2)14-8-6-9-15(11-14)20-3/h4-11,13,17H,1-3H3
InChIKeyHKSTZRGFCDQVRN-UHFFFAOYSA-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-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide
CID 81368862
N-[1-(3-methoxyphenyl)ethyl]naphthalene-1-sulfonamide
CID 3805772
N-[1-(3-methoxyphenyl)ethyl]quinoline-8-sulfonamide
CID 3716853
3-chloro-N-[1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 25044284
N-[(1R)-1-(3-methoxyphenyl)ethyl]ethanesulfonamide
CID 74229134
1-ethyl-N-[1-(3-methoxyphenyl)ethyl]-5-methylpyrazole-4-sulfonamide
CID 6464788
4-amino-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 61126470
1-bromo-N-[1-(3-methoxyphenyl)ethyl]methanesulfonamide
CID 83086763
3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 3870405
4-ethyl-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 22201289
N-[(1R)-1-(3-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 74229543
2-methoxy-4,5-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 40921810

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide?
The IUPAC name of N-[1-(3-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide (CID 45368198) is N-[1-(3-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-(3-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide?
The canonical SMILES for N-[1-(3-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide is COc1cccc(C(C)NS(=O)(=O)c2ccccc2C)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide?
The InChIKey is HKSTZRGFCDQVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-12-7-4-5-10-16(12)21(18,19)17-13(2)14-8-6-9-15(11-14)20-3/h4-11,13,17H,1-3H3.
What are the key properties of N-[1-(3-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide?
N-[1-(3-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-[1-(3-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 45368198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).