N-[4-(2-methoxy-5-methylanilino)phenyl]ethanesulfonamide

C16H20N2O3S — CID 112987760

IUPACN-[4-(2-methoxy-5-methylanilino)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Nc2cc(C)ccc2OC)cc1
InChIInChI=1S/C16H20N2O3S/c1-4-22(19,20)18-14-8-6-13(7-9-14)17-15-11-12(2)5-10-16(15)21-3/h5-11,17-18H,4H2,1-3H3
InChIKeySQWKAGHUSZLXHD-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.51
Rot. Bonds6

About N-[4-(2-methoxy-5-methylanilino)phenyl]ethanesulfonamide

N-[4-(2-methoxy-5-methylanilino)phenyl]ethanesulfonamide (PubChem CID 112987760) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is N-[4-(2-methoxy-5-methylanilino)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(2-methoxy-5-methylanilino)phenyl]ethanesulfonamide
PubChem CID112987760
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC NameN-[4-(2-methoxy-5-methylanilino)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Nc2cc(C)ccc2OC)cc1
InChIInChI=1S/C16H20N2O3S/c1-4-22(19,20)18-14-8-6-13(7-9-14)17-15-11-12(2)5-10-16(15)21-3/h5-11,17-18H,4H2,1-3H3
InChIKeySQWKAGHUSZLXHD-UHFFFAOYSA-N
XLogP3.51
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2,5-dimethoxyanilino)phenyl]butane-1-sulfonamide
CID 112987904
N-[4-(aminomethyl)phenyl]-2-methoxy-5-methylaniline
CID 117027386
N-[4-(2-methoxy-5-methylanilino)phenyl]acetamide
CID 112987716
N-[4-(4-chloro-2-methoxy-5-methylanilino)phenyl]propane-1-sulfonamide
CID 112989746
2,5-dimethoxy-N-(4-methylphenyl)aniline
CID 171920056
(2-methoxy-5-methylphenyl)sulfamic acid
CID 11844868
N-[5-(2-methoxy-5-methylanilino)-2-pyridinyl]-2-phenylethanesulfonamide
CID 113034482
1-N-(2-methoxy-5-methylphenyl)-4-methylbenzene-1,3-diamine
CID 62912994
N-(2,5-dimethylphenyl)ethanesulfonamide
CID 902936
2-(3,4-dimethoxyphenyl)-N-(4-methylphenyl)ethanesulfonamide
CID 110673808
N-(5-tert-butyl-2-methoxyphenyl)ethanesulfonamide
CID 6470554
N-[4-(ethylsulfonylamino)phenyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 48678676

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxy-5-methylanilino)phenyl]ethanesulfonamide?
The IUPAC name of N-[4-(2-methoxy-5-methylanilino)phenyl]ethanesulfonamide (CID 112987760) is N-[4-(2-methoxy-5-methylanilino)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-(2-methoxy-5-methylanilino)phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-(2-methoxy-5-methylanilino)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(Nc2cc(C)ccc2OC)cc1.
What is the InChIKey of N-[4-(2-methoxy-5-methylanilino)phenyl]ethanesulfonamide?
The InChIKey is SQWKAGHUSZLXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-4-22(19,20)18-14-8-6-13(7-9-14)17-15-11-12(2)5-10-16(15)21-3/h5-11,17-18H,4H2,1-3H3.
What are the key properties of N-[4-(2-methoxy-5-methylanilino)phenyl]ethanesulfonamide?
N-[4-(2-methoxy-5-methylanilino)phenyl]ethanesulfonamide has a molecular weight of 320.41 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxy-5-methylanilino)phenyl]ethanesulfonamide is sourced from PubChem (CID 112987760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).