4-[(1-pyridin-2-ylethylamino)methyl]benzenesulfonamide

C14H17N3O2S — CID 43192891

IUPAC4-[(1-pyridin-2-ylethylamino)methyl]benzenesulfonamide
SMILESCC(NCc1ccc(S(N)(=O)=O)cc1)c1ccccn1
InChIInChI=1S/C14H17N3O2S/c1-11(14-4-2-3-9-16-14)17-10-12-5-7-13(8-6-12)20(15,18)19/h2-9,11,17H,10H2,1H3,(H2,15,18,19)
InChIKeyRSHDYEAZUBJMGW-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.58
Rot. Bonds5

About 4-[(1-pyridin-2-ylethylamino)methyl]benzenesulfonamide

4-[(1-pyridin-2-ylethylamino)methyl]benzenesulfonamide (PubChem CID 43192891) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 4-[(1-pyridin-2-ylethylamino)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(1-pyridin-2-ylethylamino)methyl]benzenesulfonamide
PubChem CID43192891
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name4-[(1-pyridin-2-ylethylamino)methyl]benzenesulfonamide
SMILESCC(NCc1ccc(S(N)(=O)=O)cc1)c1ccccn1
InChIInChI=1S/C14H17N3O2S/c1-11(14-4-2-3-9-16-14)17-10-12-5-7-13(8-6-12)20(15,18)19/h2-9,11,17H,10H2,1H3,(H2,15,18,19)
InChIKeyRSHDYEAZUBJMGW-UHFFFAOYSA-N
XLogP1.58
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-pyridin-2-yl-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103437978
(1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-pyridin-2-ylethanamine
CID 81401570
N-[(3,4-dichlorophenyl)methyl]-1-pyridin-2-ylethanamine
CID 43181276
(1S)-N-[(3,4-dichlorophenyl)methyl]-1-pyridin-2-ylethanamine
CID 28647738
(1R)-1-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81407076
(1R)-1-pyridin-2-yl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 81402120
1-pyridin-2-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine
CID 43082298
(1R)-1-pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 28647890
4-[[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]benzenesulfonamide
CID 43760215
(1R)-N-[(2-ethylphenyl)methyl]-1-pyridin-2-ylethanamine
CID 81401879
1-pyridin-2-yl-N-[(3,4,5-trifluorophenyl)methyl]ethanamine
CID 63051180
4-[1-[(4-bromophenyl)methylamino]ethyl]benzenesulfonamide
CID 43426311

Frequently Asked Questions

What is the IUPAC name of 4-[(1-pyridin-2-ylethylamino)methyl]benzenesulfonamide?
The IUPAC name of 4-[(1-pyridin-2-ylethylamino)methyl]benzenesulfonamide (CID 43192891) is 4-[(1-pyridin-2-ylethylamino)methyl]benzenesulfonamide.
What is the SMILES notation for 4-[(1-pyridin-2-ylethylamino)methyl]benzenesulfonamide?
The canonical SMILES for 4-[(1-pyridin-2-ylethylamino)methyl]benzenesulfonamide is CC(NCc1ccc(S(N)(=O)=O)cc1)c1ccccn1.
What is the InChIKey of 4-[(1-pyridin-2-ylethylamino)methyl]benzenesulfonamide?
The InChIKey is RSHDYEAZUBJMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-11(14-4-2-3-9-16-14)17-10-12-5-7-13(8-6-12)20(15,18)19/h2-9,11,17H,10H2,1H3,(H2,15,18,19).
What are the key properties of 4-[(1-pyridin-2-ylethylamino)methyl]benzenesulfonamide?
4-[(1-pyridin-2-ylethylamino)methyl]benzenesulfonamide has a molecular weight of 291.38 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-pyridin-2-ylethylamino)methyl]benzenesulfonamide is sourced from PubChem (CID 43192891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).