N-(4-ethyl-2-methylphenyl)-2-methoxybenzenesulfonamide

C16H19NO3S — CID 71013503

IUPACN-(4-ethyl-2-methylphenyl)-2-methoxybenzenesulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2ccccc2OC)c(C)c1
InChIInChI=1S/C16H19NO3S/c1-4-13-9-10-14(12(2)11-13)17-21(18,19)16-8-6-5-7-15(16)20-3/h5-11,17H,4H2,1-3H3
InChIKeyNLDYIARMOSAXFS-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.37
Rot. Bonds5

About N-(4-ethyl-2-methylphenyl)-2-methoxybenzenesulfonamide

N-(4-ethyl-2-methylphenyl)-2-methoxybenzenesulfonamide (PubChem CID 71013503) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(4-ethyl-2-methylphenyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(4-ethyl-2-methylphenyl)-2-methoxybenzenesulfonamide
PubChem CID71013503
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-(4-ethyl-2-methylphenyl)-2-methoxybenzenesulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2ccccc2OC)c(C)c1
InChIInChI=1S/C16H19NO3S/c1-4-13-9-10-14(12(2)11-13)17-21(18,19)16-8-6-5-7-15(16)20-3/h5-11,17H,4H2,1-3H3
InChIKeyNLDYIARMOSAXFS-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-iodo-2-methylphenyl)-2-methoxybenzenesulfonamide
CID 47104373
N-(4-butyl-2-methylphenyl)-2,5-dimethoxybenzenesulfonamide
CID 3875911
N-(2-bromo-4-methylphenyl)-2-methoxybenzenesulfonamide
CID 47104436
N-(4-methoxy-2-methylphenyl)-2-methylbenzenesulfonamide
CID 62997670
N-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide
CID 50876640
N-(2-bromophenyl)-2-methoxybenzenesulfonamide
CID 47104314
methyl 2-[(2-methoxyphenyl)sulfonylamino]benzoate
CID 110757322
4,6-dimethoxy-1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-disulfonamide
CID 17349147
N-(4-fluoro-2-methylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 18148145
1-N,3-N-bis(4-fluoro-2-methylphenyl)-4-methoxybenzene-1,3-disulfonamide
CID 138393240
5-ethyl-2-methoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 110757861
N-[2-(methanesulfonamido)phenyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113093442

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-2-methylphenyl)-2-methoxybenzenesulfonamide?
The IUPAC name of N-(4-ethyl-2-methylphenyl)-2-methoxybenzenesulfonamide (CID 71013503) is N-(4-ethyl-2-methylphenyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-(4-ethyl-2-methylphenyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for N-(4-ethyl-2-methylphenyl)-2-methoxybenzenesulfonamide is CCc1ccc(NS(=O)(=O)c2ccccc2OC)c(C)c1.
What is the InChIKey of N-(4-ethyl-2-methylphenyl)-2-methoxybenzenesulfonamide?
The InChIKey is NLDYIARMOSAXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-4-13-9-10-14(12(2)11-13)17-21(18,19)16-8-6-5-7-15(16)20-3/h5-11,17H,4H2,1-3H3.
What are the key properties of N-(4-ethyl-2-methylphenyl)-2-methoxybenzenesulfonamide?
N-(4-ethyl-2-methylphenyl)-2-methoxybenzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-2-methylphenyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 71013503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).