4-(2-aminoethyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide

C14H17N3O2S — CID 63327769

IUPAC4-(2-aminoethyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1ccncc1NS(=O)(=O)c1ccc(CCN)cc1
InChIInChI=1S/C14H17N3O2S/c1-11-7-9-16-10-14(11)17-20(18,19)13-4-2-12(3-5-13)6-8-15/h2-5,7,9-10,17H,6,8,15H2,1H3
InChIKeyAOLFTDUXWNEMRC-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.69
Rot. Bonds5

About 4-(2-aminoethyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide

4-(2-aminoethyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide (PubChem CID 63327769) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide
PubChem CID63327769
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name4-(2-aminoethyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1ccncc1NS(=O)(=O)c1ccc(CCN)cc1
InChIInChI=1S/C14H17N3O2S/c1-11-7-9-16-10-14(11)17-20(18,19)13-4-2-12(3-5-13)6-8-15/h2-5,7,9-10,17H,6,8,15H2,1H3
InChIKeyAOLFTDUXWNEMRC-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-aminoethyl)-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114955251
4-(aminomethyl)-3-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 106919393
3-(aminomethyl)-4-ethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 106063140
N-(4-methyl-3-pyridinyl)-4-(propylamino)benzenesulfonamide
CID 63328119
5-(aminomethyl)-N-(4-methyl-3-pyridinyl)-1H-pyrrole-3-sulfonamide
CID 114141286
4-(3-hydroxyprop-1-ynyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 63328163
4-amino-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63669666
3-amino-4-chloro-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 55201502
4-amino-3-chloro-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 115330084
5-(aminomethyl)-2-ethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 106063130
3-amino-5-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 63329939
3-amino-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 55201115

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-(2-aminoethyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide (CID 63327769) is 4-(2-aminoethyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-(2-aminoethyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide is Cc1ccncc1NS(=O)(=O)c1ccc(CCN)cc1.
What is the InChIKey of 4-(2-aminoethyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide?
The InChIKey is AOLFTDUXWNEMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-11-7-9-16-10-14(11)17-20(18,19)13-4-2-12(3-5-13)6-8-15/h2-5,7,9-10,17H,6,8,15H2,1H3.
What are the key properties of 4-(2-aminoethyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide?
4-(2-aminoethyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide has a molecular weight of 291.38 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 63327769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).