N-[4-[1-(3-methoxyanilino)ethyl]phenyl]ethanesulfonamide

C17H22N2O3S — CID 84596568

IUPACN-[4-[1-(3-methoxyanilino)ethyl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(C(C)Nc2cccc(OC)c2)cc1
InChIInChI=1S/C17H22N2O3S/c1-4-23(20,21)19-15-10-8-14(9-11-15)13(2)18-16-6-5-7-17(12-16)22-3/h5-13,18-19H,4H2,1-3H3
InChIKeyLXVLXKODLWSMQM-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.63
Rot. Bonds7

About N-[4-[1-(3-methoxyanilino)ethyl]phenyl]ethanesulfonamide

N-[4-[1-(3-methoxyanilino)ethyl]phenyl]ethanesulfonamide (PubChem CID 84596568) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is N-[4-[1-(3-methoxyanilino)ethyl]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-[1-(3-methoxyanilino)ethyl]phenyl]ethanesulfonamide
PubChem CID84596568
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC NameN-[4-[1-(3-methoxyanilino)ethyl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(C(C)Nc2cccc(OC)c2)cc1
InChIInChI=1S/C17H22N2O3S/c1-4-23(20,21)19-15-10-8-14(9-11-15)13(2)18-16-6-5-7-17(12-16)22-3/h5-13,18-19H,4H2,1-3H3
InChIKeyLXVLXKODLWSMQM-UHFFFAOYSA-N
XLogP3.63
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[1-(3-ethoxyanilino)ethyl]phenyl]methanesulfonamide
CID 84596891
N-[4-[(1S)-1-(3,5-difluoroanilino)ethyl]phenyl]ethanesulfonamide
CID 97306800
N-[(1R)-1-(3-methoxyphenyl)ethyl]ethanesulfonamide
CID 74229134
N-[1-(3,4-difluorophenyl)ethyl]-3-methoxyaniline
CID 43196392
N-[4-[1-(methylamino)ethyl]phenyl]ethanesulfonamide
CID 43508080
4-(ethylsulfonylamino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 94027949
3-ethyl-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43196055
N-[5-(3-methoxyanilino)-2-pyridinyl]ethanesulfonamide
CID 113034106
N-[3-(2-methylpropoxy)phenyl]ethanesulfonamide
CID 61062339
N-[4-[1-(1H-indazol-5-ylamino)ethyl]phenyl]ethanesulfonamide
CID 75516896
N-[1-(4-ethylphenyl)ethyl]-3,5-dimethoxyaniline
CID 43106299
3-methoxy-N-[(2S,3S)-3-methylpentan-2-yl]aniline
CID 28548125

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(3-methoxyanilino)ethyl]phenyl]ethanesulfonamide?
The IUPAC name of N-[4-[1-(3-methoxyanilino)ethyl]phenyl]ethanesulfonamide (CID 84596568) is N-[4-[1-(3-methoxyanilino)ethyl]phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-[1-(3-methoxyanilino)ethyl]phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-[1-(3-methoxyanilino)ethyl]phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(C(C)Nc2cccc(OC)c2)cc1.
What is the InChIKey of N-[4-[1-(3-methoxyanilino)ethyl]phenyl]ethanesulfonamide?
The InChIKey is LXVLXKODLWSMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-4-23(20,21)19-15-10-8-14(9-11-15)13(2)18-16-6-5-7-17(12-16)22-3/h5-13,18-19H,4H2,1-3H3.
What are the key properties of N-[4-[1-(3-methoxyanilino)ethyl]phenyl]ethanesulfonamide?
N-[4-[1-(3-methoxyanilino)ethyl]phenyl]ethanesulfonamide has a molecular weight of 334.44 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(3-methoxyanilino)ethyl]phenyl]ethanesulfonamide is sourced from PubChem (CID 84596568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).