3-(1-aminoethyl)-N-(6-methyl-2-pyridinyl)benzenesulfonamide

C14H17N3O2S — CID 43094459

IUPAC3-(1-aminoethyl)-N-(6-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cccc(C(C)N)c2)n1
InChIInChI=1S/C14H17N3O2S/c1-10-5-3-8-14(16-10)17-20(18,19)13-7-4-6-12(9-13)11(2)15/h3-9,11H,15H2,1-2H3,(H,16,17)
InChIKeyNBWDGBUWLBFLTC-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.21
Rot. Bonds4

About 3-(1-aminoethyl)-N-(6-methyl-2-pyridinyl)benzenesulfonamide

3-(1-aminoethyl)-N-(6-methyl-2-pyridinyl)benzenesulfonamide (PubChem CID 43094459) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 3-(1-aminoethyl)-N-(6-methyl-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(1-aminoethyl)-N-(6-methyl-2-pyridinyl)benzenesulfonamide
PubChem CID43094459
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name3-(1-aminoethyl)-N-(6-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cccc(C(C)N)c2)n1
InChIInChI=1S/C14H17N3O2S/c1-10-5-3-8-14(16-10)17-20(18,19)13-7-4-6-12(9-13)11(2)15/h3-9,11H,15H2,1-2H3,(H,16,17)
InChIKeyNBWDGBUWLBFLTC-UHFFFAOYSA-N
XLogP2.21
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-methyl-2-pyridinyl)-2,4,6-tri(propan-2-yl)benzenesulfonamide
CID 3407231
3-(1-aminoethyl)-N-(3,4-dichlorophenyl)benzenesulfonamide
CID 43104208
3-(1-aminoethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 61480691
3-(1-aminoethyl)-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide
CID 43107586
4-methoxy-N-(6-methyl-2-pyridinyl)benzenesulfonamide
CID 3857714
3-(1-aminoethyl)-N-cyclopentylbenzenesulfonamide
CID 43101815
N-(6-methyl-2-pyridinyl)-1,3-dihydro-2-benzofuran-5-sulfonamide
CID 84584191
1-[3-(1-aminoethyl)phenyl]-3-(6-methyl-2-pyridinyl)urea
CID 61339473
3-(1-aminoethyl)-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 107595189
3-(1-aminoethyl)-N-(4-bromo-3-fluorophenyl)benzenesulfonamide
CID 65437568
2-hydroxy-5-[(6-methyl-2-pyridinyl)sulfamoyl]benzoic acid
CID 29285613
4-hydrazinyl-2,6-dimethyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide
CID 107327748

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-N-(6-methyl-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 3-(1-aminoethyl)-N-(6-methyl-2-pyridinyl)benzenesulfonamide (CID 43094459) is 3-(1-aminoethyl)-N-(6-methyl-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 3-(1-aminoethyl)-N-(6-methyl-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 3-(1-aminoethyl)-N-(6-methyl-2-pyridinyl)benzenesulfonamide is Cc1cccc(NS(=O)(=O)c2cccc(C(C)N)c2)n1.
What is the InChIKey of 3-(1-aminoethyl)-N-(6-methyl-2-pyridinyl)benzenesulfonamide?
The InChIKey is NBWDGBUWLBFLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-10-5-3-8-14(16-10)17-20(18,19)13-7-4-6-12(9-13)11(2)15/h3-9,11H,15H2,1-2H3,(H,16,17).
What are the key properties of 3-(1-aminoethyl)-N-(6-methyl-2-pyridinyl)benzenesulfonamide?
3-(1-aminoethyl)-N-(6-methyl-2-pyridinyl)benzenesulfonamide has a molecular weight of 291.38 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-N-(6-methyl-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 43094459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).