N-ethyl-4-methyl-2-(3-methylphenoxy)benzenesulfonamide

C16H19NO3S — CID 10804527

IUPACN-ethyl-4-methyl-2-(3-methylphenoxy)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(C)cc1Oc1cccc(C)c1
InChIInChI=1S/C16H19NO3S/c1-4-17-21(18,19)16-9-8-13(3)11-15(16)20-14-7-5-6-12(2)10-14/h5-11,17H,4H2,1-3H3
InChIKeyJNDVHLWGYCBQIP-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.39
Rot. Bonds5

About N-ethyl-4-methyl-2-(3-methylphenoxy)benzenesulfonamide

N-ethyl-4-methyl-2-(3-methylphenoxy)benzenesulfonamide (PubChem CID 10804527) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-ethyl-4-methyl-2-(3-methylphenoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-methyl-2-(3-methylphenoxy)benzenesulfonamide
PubChem CID10804527
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-ethyl-4-methyl-2-(3-methylphenoxy)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(C)cc1Oc1cccc(C)c1
InChIInChI=1S/C16H19NO3S/c1-4-17-21(18,19)16-9-8-13(3)11-15(16)20-14-7-5-6-12(2)10-14/h5-11,17H,4H2,1-3H3
InChIKeyJNDVHLWGYCBQIP-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-fluoro-4-methylbenzenesulfonamide
CID 130158865
2-methoxy-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 8800419
N-ethyl-4-methyl-2-trimethylsilylbenzenesulfonamide
CID 10730846
3-chloro-4-(3-methylphenoxy)benzenesulfonyl chloride
CID 61373146
4-methyl-2-(3-methylphenoxy)aniline
CID 26189584
1-chloro-4-methyl-2-(3-methylphenoxy)benzene
CID 54166558
2-ethyl-4-(3-methylphenoxy)-5-methylsulfonylbenzoic acid
CID 21463738
(3-methylphenyl) 2-[(2-methoxy-5-methylphenyl)sulfonylamino]acetate
CID 110670472
N-(2-amino-2-methylpropyl)-4-(3-methylphenoxy)benzenesulfonamide
CID 119987959
N-benzyl-2-methoxy-4-methylbenzenesulfonamide
CID 801458
N-benzyl-2-butoxy-4-methylbenzenesulfonamide
CID 16645128
2-chloro-N-[3-(3-methylphenoxy)propyl]benzenesulfonamide
CID 46644070

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-2-(3-methylphenoxy)benzenesulfonamide?
The IUPAC name of N-ethyl-4-methyl-2-(3-methylphenoxy)benzenesulfonamide (CID 10804527) is N-ethyl-4-methyl-2-(3-methylphenoxy)benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-methyl-2-(3-methylphenoxy)benzenesulfonamide?
The canonical SMILES for N-ethyl-4-methyl-2-(3-methylphenoxy)benzenesulfonamide is CCNS(=O)(=O)c1ccc(C)cc1Oc1cccc(C)c1.
What is the InChIKey of N-ethyl-4-methyl-2-(3-methylphenoxy)benzenesulfonamide?
The InChIKey is JNDVHLWGYCBQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-4-17-21(18,19)16-9-8-13(3)11-15(16)20-14-7-5-6-12(2)10-14/h5-11,17H,4H2,1-3H3.
What are the key properties of N-ethyl-4-methyl-2-(3-methylphenoxy)benzenesulfonamide?
N-ethyl-4-methyl-2-(3-methylphenoxy)benzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-2-(3-methylphenoxy)benzenesulfonamide is sourced from PubChem (CID 10804527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).