4-(1-aminoethyl)-N-(3-methyl-2-pyridinyl)benzenesulfonamide

C14H17N3O2S — CID 43095409

IUPAC4-(1-aminoethyl)-N-(3-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1cccnc1NS(=O)(=O)c1ccc(C(C)N)cc1
InChIInChI=1S/C14H17N3O2S/c1-10-4-3-9-16-14(10)17-20(18,19)13-7-5-12(6-8-13)11(2)15/h3-9,11H,15H2,1-2H3,(H,16,17)
InChIKeyQUIGMXCDWPIPIY-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.21
Rot. Bonds4

About 4-(1-aminoethyl)-N-(3-methyl-2-pyridinyl)benzenesulfonamide

4-(1-aminoethyl)-N-(3-methyl-2-pyridinyl)benzenesulfonamide (PubChem CID 43095409) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 4-(1-aminoethyl)-N-(3-methyl-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(1-aminoethyl)-N-(3-methyl-2-pyridinyl)benzenesulfonamide
PubChem CID43095409
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name4-(1-aminoethyl)-N-(3-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1cccnc1NS(=O)(=O)c1ccc(C(C)N)cc1
InChIInChI=1S/C14H17N3O2S/c1-10-4-3-9-16-14(10)17-20(18,19)13-7-5-12(6-8-13)11(2)15/h3-9,11H,15H2,1-2H3,(H,16,17)
InChIKeyQUIGMXCDWPIPIY-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

4-(1-aminoethyl)-N-pyrimidin-2-ylbenzenesulfonamide
CID 43111211
4-iodo-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 3792615
4-ethenyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 19423365
4-(1-aminoethyl)-N-(2,3-dimethylphenyl)benzenesulfonamide
CID 43099417
4-(ethylaminomethyl)-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 60822489
2-[4-[(3-methyl-2-pyridinyl)sulfamoyl]phenyl]ethanethioamide
CID 79186142
N-(3-methyl-2-pyridinyl)-4-(propylamino)benzenesulfonamide
CID 62149767
4-amino-3-methoxy-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 81438403
5-[(3-methyl-2-pyridinyl)sulfamoyl]pyridine-2-carbothioamide
CID 114614077
(E)-3-[4-[(3-methyl-2-pyridinyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 6217942
4-(3-hydroxy-3-methylbut-1-ynyl)-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 18758689
3-amino-N-(3-methyl-2-pyridinyl)pyridine-2-sulfonamide
CID 103303464

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-N-(3-methyl-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-(1-aminoethyl)-N-(3-methyl-2-pyridinyl)benzenesulfonamide (CID 43095409) is 4-(1-aminoethyl)-N-(3-methyl-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-(1-aminoethyl)-N-(3-methyl-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-(1-aminoethyl)-N-(3-methyl-2-pyridinyl)benzenesulfonamide is Cc1cccnc1NS(=O)(=O)c1ccc(C(C)N)cc1.
What is the InChIKey of 4-(1-aminoethyl)-N-(3-methyl-2-pyridinyl)benzenesulfonamide?
The InChIKey is QUIGMXCDWPIPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-10-4-3-9-16-14(10)17-20(18,19)13-7-5-12(6-8-13)11(2)15/h3-9,11H,15H2,1-2H3,(H,16,17).
What are the key properties of 4-(1-aminoethyl)-N-(3-methyl-2-pyridinyl)benzenesulfonamide?
4-(1-aminoethyl)-N-(3-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 4-(1-aminoethyl)-N-(3-methyl-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 43095409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).