N-ethyl-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide

C16H19NO3S — CID 839251

IUPACN-ethyl-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
SMILESCCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H19NO3S/c1-4-17(14-7-9-15(20-3)10-8-14)21(18,19)16-11-5-13(2)6-12-16/h5-12H,4H2,1-3H3
InChIKeyPDUNVGQKEQXZPG-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.22
Rot. Bonds5

About N-ethyl-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide

N-ethyl-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide (PubChem CID 839251) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-ethyl-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
PubChem CID839251
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-ethyl-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
SMILESCCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H19NO3S/c1-4-17(14-7-9-15(20-3)10-8-14)21(18,19)16-11-5-13(2)6-12-16/h5-12H,4H2,1-3H3
InChIKeyPDUNVGQKEQXZPG-UHFFFAOYSA-N
XLogP3.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-(Diethylamino)benzyl)-4-methoxy-N-(p-tolyl)benzenesulfonamide
CID 71584280
6-Fluoro-1-[(4-methoxyphenyl)sulfonyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 2933892
N-(4-Ethoxyphenyl)-4-methylbenzenesulfonamide
CID 284083
Methyl 4-[(4-phenyl-1-piperazinyl)sulfonyl]phenyl ether
CID 756017
N-[4-(diethylamino)phenyl]-4-methoxybenzenesulfonamide
CID 841703
1-[(4-Methoxyphenyl)sulfonyl]-2-methylindoline
CID 2989329
1-[(4-Tert-butylphenyl)sulfonyl]-4-(4-methoxyphenyl)piperazine
CID 3860166
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-4-methylbenzenesulfonamide
CID 398712
4-[1-(4-Methoxyphenyl)-4,5-dihydroimidazol-2-yl]benzenesulfonamide
CID 145957040
N-(2-azepan-1-yl-2-oxoethyl)-N-(4-ethoxyphenyl)-4-methylbenzenesulfonamide
CID 1001017
N-(2-Methoxy-phenyl)-4-methyl-N-oxiranylmethyl-benzenesulfonamide
CID 3133076
N-[[1-(4-methoxyphenyl)-3-pyrrolidinyl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 3238534

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-ethyl-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide (CID 839251) is N-ethyl-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-ethyl-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-ethyl-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide is CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-ethyl-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide?
The InChIKey is PDUNVGQKEQXZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-4-17(14-7-9-15(20-3)10-8-14)21(18,19)16-11-5-13(2)6-12-16/h5-12H,4H2,1-3H3.
What are the key properties of N-ethyl-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide?
N-ethyl-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 839251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).