N-(3-ethyl-4-methoxyphenyl)-4-methoxybenzenesulfonamide

C16H19NO4S — CID 110777211

IUPACN-(3-ethyl-4-methoxyphenyl)-4-methoxybenzenesulfonamide
SMILESCCc1cc(NS(=O)(=O)c2ccc(OC)cc2)ccc1OC
InChIInChI=1S/C16H19NO4S/c1-4-12-11-13(5-10-16(12)21-3)17-22(18,19)15-8-6-14(20-2)7-9-15/h5-11,17H,4H2,1-3H3
InChIKeyMUHMMGDKLQEGEW-UHFFFAOYSA-N
MW321.40 g/mol
LogP3.07
Rot. Bonds6

About N-(3-ethyl-4-methoxyphenyl)-4-methoxybenzenesulfonamide

N-(3-ethyl-4-methoxyphenyl)-4-methoxybenzenesulfonamide (PubChem CID 110777211) has the molecular formula C16H19NO4S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-(3-ethyl-4-methoxyphenyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-ethyl-4-methoxyphenyl)-4-methoxybenzenesulfonamide
PubChem CID110777211
Molecular FormulaC16H19NO4S
Molecular Weight321.40 g/mol
Exact Mass321.10
IUPAC NameN-(3-ethyl-4-methoxyphenyl)-4-methoxybenzenesulfonamide
SMILESCCc1cc(NS(=O)(=O)c2ccc(OC)cc2)ccc1OC
InChIInChI=1S/C16H19NO4S/c1-4-12-11-13(5-10-16(12)21-3)17-22(18,19)15-8-6-14(20-2)7-9-15/h5-11,17H,4H2,1-3H3
InChIKeyMUHMMGDKLQEGEW-UHFFFAOYSA-N
XLogP3.07
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-3-ethyl-4-methoxybenzenesulfonamide
CID 53289163
N-(3-chloro-4-ethoxyphenyl)-4-methoxybenzenesulfonamide
CID 110777436
2-methoxy-5-[(4-methoxyphenyl)sulfonylamino]-N,N-dimethylbenzenesulfonamide
CID 7586511
4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-disulfonamide
CID 3106646
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
4-fluoro-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzenesulfonamide
CID 8519475
2-cyano-N-(3-ethyl-4-methoxyphenyl)benzenesulfonamide
CID 110777228
N-(3-cyanophenyl)-3-ethyl-4-methoxybenzenesulfonamide
CID 110757847
N-[4-(4-ethoxyanilino)phenyl]-4-methoxybenzenesulfonamide
CID 112987708
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
4-butan-2-yl-N-(3,4-dimethoxyphenyl)benzenesulfonamide
CID 22202165
N-(3,4-dimethoxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 3863930

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-4-methoxyphenyl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(3-ethyl-4-methoxyphenyl)-4-methoxybenzenesulfonamide (CID 110777211) is N-(3-ethyl-4-methoxyphenyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(3-ethyl-4-methoxyphenyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(3-ethyl-4-methoxyphenyl)-4-methoxybenzenesulfonamide is CCc1cc(NS(=O)(=O)c2ccc(OC)cc2)ccc1OC.
What is the InChIKey of N-(3-ethyl-4-methoxyphenyl)-4-methoxybenzenesulfonamide?
The InChIKey is MUHMMGDKLQEGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S/c1-4-12-11-13(5-10-16(12)21-3)17-22(18,19)15-8-6-14(20-2)7-9-15/h5-11,17H,4H2,1-3H3.
What are the key properties of N-(3-ethyl-4-methoxyphenyl)-4-methoxybenzenesulfonamide?
N-(3-ethyl-4-methoxyphenyl)-4-methoxybenzenesulfonamide has a molecular weight of 321.40 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-4-methoxyphenyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 110777211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).