4-[(1S)-1-[methyl(2-pyridin-4-ylethyl)amino]ethyl]benzenesulfonamide

C16H21N3O2S — CID 35886705

IUPAC4-[(1S)-1-[methyl(2-pyridin-4-ylethyl)amino]ethyl]benzenesulfonamide
SMILESC[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)CCc1ccncc1
InChIInChI=1S/C16H21N3O2S/c1-13(15-3-5-16(6-4-15)22(17,20)21)19(2)12-9-14-7-10-18-11-8-14/h3-8,10-11,13H,9,12H2,1-2H3,(H2,17,20,21)/t13-/m0/s1
InChIKeyMJUJQUWZJXJRJR-ZDUSSCGKSA-N
MW319.43 g/mol
LogP1.96
Rot. Bonds6

About 4-[(1S)-1-[methyl(2-pyridin-4-ylethyl)amino]ethyl]benzenesulfonamide

4-[(1S)-1-[methyl(2-pyridin-4-ylethyl)amino]ethyl]benzenesulfonamide (PubChem CID 35886705) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 4-[(1S)-1-[methyl(2-pyridin-4-ylethyl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(1S)-1-[methyl(2-pyridin-4-ylethyl)amino]ethyl]benzenesulfonamide
PubChem CID35886705
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name4-[(1S)-1-[methyl(2-pyridin-4-ylethyl)amino]ethyl]benzenesulfonamide
SMILESC[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)CCc1ccncc1
InChIInChI=1S/C16H21N3O2S/c1-13(15-3-5-16(6-4-15)22(17,20)21)19(2)12-9-14-7-10-18-11-8-14/h3-8,10-11,13H,9,12H2,1-2H3,(H2,17,20,21)/t13-/m0/s1
InChIKeyMJUJQUWZJXJRJR-ZDUSSCGKSA-N
XLogP1.96
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-1-(2-pyridin-4-ylethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108989235
4-[(1R)-1-[(4-chlorophenyl)methyl-methylamino]ethyl]benzenesulfonamide
CID 35886708
4-[1-[(4-bromophenyl)methyl-methylamino]ethyl]benzenesulfonamide
CID 46615150
4-[(1R)-1-[methyl(2-methylprop-2-enyl)amino]ethyl]benzenesulfonamide
CID 94343786
4-[1-[methyl(2-methylprop-2-enyl)amino]ethyl]benzenesulfonamide
CID 51226899
4-[(3R)-3-aminobutyl]benzenesulfonamide
CID 54189732
N-methyl-3-(4-propan-2-ylphenyl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 55789846
4-(2-pyridin-4-ylethoxy)benzenesulfonamide
CID 82910996
2-N-methyl-2-N-(2-pyridin-4-ylethyl)pentane-2,3-diamine
CID 60913377
4-[1-[methyl(quinolin-8-ylmethyl)amino]ethyl]benzenesulfonamide
CID 42929119
4-[1-[2-(dimethylamino)ethylamino]ethyl]benzenesulfonamide
CID 43754787
3-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]butanehydrazide
CID 55213835

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-[methyl(2-pyridin-4-ylethyl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[(1S)-1-[methyl(2-pyridin-4-ylethyl)amino]ethyl]benzenesulfonamide (CID 35886705) is 4-[(1S)-1-[methyl(2-pyridin-4-ylethyl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[(1S)-1-[methyl(2-pyridin-4-ylethyl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[(1S)-1-[methyl(2-pyridin-4-ylethyl)amino]ethyl]benzenesulfonamide is C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)CCc1ccncc1.
What is the InChIKey of 4-[(1S)-1-[methyl(2-pyridin-4-ylethyl)amino]ethyl]benzenesulfonamide?
The InChIKey is MJUJQUWZJXJRJR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-13(15-3-5-16(6-4-15)22(17,20)21)19(2)12-9-14-7-10-18-11-8-14/h3-8,10-11,13H,9,12H2,1-2H3,(H2,17,20,21)/t13-/m0/s1.
What are the key properties of 4-[(1S)-1-[methyl(2-pyridin-4-ylethyl)amino]ethyl]benzenesulfonamide?
4-[(1S)-1-[methyl(2-pyridin-4-ylethyl)amino]ethyl]benzenesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-[methyl(2-pyridin-4-ylethyl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 35886705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).