4-(3-aminopropyl)-N-pyridin-3-ylbenzenesulfonamide

C14H17N3O2S — CID 106033132

IUPAC4-(3-aminopropyl)-N-pyridin-3-ylbenzenesulfonamide
SMILESNCCCc1ccc(S(=O)(=O)Nc2cccnc2)cc1
InChIInChI=1S/C14H17N3O2S/c15-9-1-3-12-5-7-14(8-6-12)20(18,19)17-13-4-2-10-16-11-13/h2,4-8,10-11,17H,1,3,9,15H2
InChIKeyRBVCLONZHWGHHD-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.77
Rot. Bonds6

About 4-(3-aminopropyl)-N-pyridin-3-ylbenzenesulfonamide

4-(3-aminopropyl)-N-pyridin-3-ylbenzenesulfonamide (PubChem CID 106033132) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 4-(3-aminopropyl)-N-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(3-aminopropyl)-N-pyridin-3-ylbenzenesulfonamide
PubChem CID106033132
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name4-(3-aminopropyl)-N-pyridin-3-ylbenzenesulfonamide
SMILESNCCCc1ccc(S(=O)(=O)Nc2cccnc2)cc1
InChIInChI=1S/C14H17N3O2S/c15-9-1-3-12-5-7-14(8-6-12)20(18,19)17-13-4-2-10-16-11-13/h2,4-8,10-11,17H,1,3,9,15H2
InChIKeyRBVCLONZHWGHHD-UHFFFAOYSA-N
XLogP1.77
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-aminopropyl)-N-pyrimidin-5-ylbenzenesulfonamide
CID 106088618
4-(3-aminopropyl)-N-(4-iodophenyl)benzenesulfonamide
CID 106029613
4-(3-aminopropyl)-N-(4-chlorophenyl)benzenesulfonamide
CID 106060775
4-[3-(methylamino)propyl]-N-pyrimidin-5-ylbenzenesulfonamide
CID 106088550
3-amino-4-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 29034135
1-(2-aminoethyl)-N-pyridin-3-ylpyrazole-4-sulfonamide
CID 114138925
N-[3-(3-aminopropyl)phenyl]benzenesulfonamide
CID 11849197
4-acetyl-N-pyridin-3-ylbenzenesulfonamide
CID 22750329
3-bromo-4-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 71991673
N-pyridin-3-ylnaphthalene-2-sulfonamide
CID 849014
4-[[[4-[3-(2-aminoethoxy)propyl]phenyl]sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
CID 70659860
N-[4-(2-aminoethyl)phenyl]sulfonylpyridine-3-carboxamide
CID 110839438

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-N-pyridin-3-ylbenzenesulfonamide?
The IUPAC name of 4-(3-aminopropyl)-N-pyridin-3-ylbenzenesulfonamide (CID 106033132) is 4-(3-aminopropyl)-N-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-(3-aminopropyl)-N-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for 4-(3-aminopropyl)-N-pyridin-3-ylbenzenesulfonamide is NCCCc1ccc(S(=O)(=O)Nc2cccnc2)cc1.
What is the InChIKey of 4-(3-aminopropyl)-N-pyridin-3-ylbenzenesulfonamide?
The InChIKey is RBVCLONZHWGHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c15-9-1-3-12-5-7-14(8-6-12)20(18,19)17-13-4-2-10-16-11-13/h2,4-8,10-11,17H,1,3,9,15H2.
What are the key properties of 4-(3-aminopropyl)-N-pyridin-3-ylbenzenesulfonamide?
4-(3-aminopropyl)-N-pyridin-3-ylbenzenesulfonamide has a molecular weight of 291.38 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-N-pyridin-3-ylbenzenesulfonamide is sourced from PubChem (CID 106033132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).