3-(1-aminopropyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide

C15H19N3O2S — CID 60872660

IUPAC3-(1-aminopropyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESCCC(N)c1cccc(S(=O)(=O)NCc2ccncc2)c1
InChIInChI=1S/C15H19N3O2S/c1-2-15(16)13-4-3-5-14(10-13)21(19,20)18-11-12-6-8-17-9-7-12/h3-10,15,18H,2,11,16H2,1H3
InChIKeyZJKWCHZKSZYWEC-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.97
Rot. Bonds6

About 3-(1-aminopropyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide

3-(1-aminopropyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide (PubChem CID 60872660) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-(1-aminopropyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(1-aminopropyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
PubChem CID60872660
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name3-(1-aminopropyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESCCC(N)c1cccc(S(=O)(=O)NCc2ccncc2)c1
InChIInChI=1S/C15H19N3O2S/c1-2-15(16)13-4-3-5-14(10-13)21(19,20)18-11-12-6-8-17-9-7-12/h3-10,15,18H,2,11,16H2,1H3
InChIKeyZJKWCHZKSZYWEC-UHFFFAOYSA-N
XLogP1.97
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-aminopropyl)-N-(cyclopropylmethyl)benzenesulfonamide
CID 60874157
3-(1-aminopropyl)-N-(furan-2-ylmethyl)benzenesulfonamide
CID 60873785
3-(1-aminopropyl)-N-pyrimidin-5-ylbenzenesulfonamide
CID 107588975
2-[[3-(1-aminopropyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide
CID 60872861
1-(3-methylsulfonylphenyl)propan-1-amine
CID 66935160
3-(1-aminopropyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 61477476
3-(1-aminopropyl)-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide
CID 80743494
ethyl 2-[[3-(1-aminopropyl)phenyl]sulfonylamino]propanoate
CID 61499264
3-amino-4-bromo-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 115328707
3-[(4-methylphenyl)methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 109064600
1-[3-(benzylsulfamoyl)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135231284
2-(propylamino)-N-(pyridin-4-ylmethyl)pyridine-4-sulfonamide
CID 62148405

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminopropyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-(1-aminopropyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide (CID 60872660) is 3-(1-aminopropyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-(1-aminopropyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-(1-aminopropyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide is CCC(N)c1cccc(S(=O)(=O)NCc2ccncc2)c1.
What is the InChIKey of 3-(1-aminopropyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The InChIKey is ZJKWCHZKSZYWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-2-15(16)13-4-3-5-14(10-13)21(19,20)18-11-12-6-8-17-9-7-12/h3-10,15,18H,2,11,16H2,1H3.
What are the key properties of 3-(1-aminopropyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide?
3-(1-aminopropyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminopropyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 60872660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).