4-bromo-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide

C14H16BrN3O2S — CID 113023499

IUPAC4-bromo-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide
SMILESCCCNc1ccc(NS(=O)(=O)c2ccc(Br)cc2)nc1
InChIInChI=1S/C14H16BrN3O2S/c1-2-9-16-12-5-8-14(17-10-12)18-21(19,20)13-6-3-11(15)4-7-13/h3-8,10,16H,2,9H2,1H3,(H,17,18)
InChIKeyRTSZLICTXYLBFF-UHFFFAOYSA-N
MW370.27 g/mol
LogP3.47
Rot. Bonds6

About 4-bromo-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide

4-bromo-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide (PubChem CID 113023499) has the molecular formula C14H16BrN3O2S and a molecular weight of 370.27 g/mol. Its IUPAC name is 4-bromo-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide
PubChem CID113023499
Molecular FormulaC14H16BrN3O2S
Molecular Weight370.27 g/mol
Exact Mass369.01
IUPAC Name4-bromo-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide
SMILESCCCNc1ccc(NS(=O)(=O)c2ccc(Br)cc2)nc1
InChIInChI=1S/C14H16BrN3O2S/c1-2-9-16-12-5-8-14(17-10-12)18-21(19,20)13-6-3-11(15)4-7-13/h3-8,10,16H,2,9H2,1H3,(H,17,18)
InChIKeyRTSZLICTXYLBFF-UHFFFAOYSA-N
XLogP3.47
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.27
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[4-(propylamino)phenyl]benzenesulfonamide
CID 112979761
N-[5-(butylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide
CID 113024035
4-bromo-N-(5-bromo-2-pyridinyl)benzenesulfonamide
CID 3811085
4-chloro-N-[5-(pentylamino)-2-pyridinyl]benzenesulfonamide
CID 113030458
N-(4-fluorophenyl)-6-(propylamino)pyridine-3-sulfonamide
CID 62145210
4-bromo-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 669661
N-[5-(propylamino)-2-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 113023518
2-(dimethylsulfamoylamino)-5-(propylamino)pyridine
CID 113023494
2-chloro-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide
CID 113023545
N-[5-(butylamino)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide
CID 113024078
N-(5-bromo-2-pyridinyl)-4-methylbenzenesulfonamide
CID 673877
4-chloro-N-[5-(3-methylbutylamino)-2-pyridinyl]benzenesulfonamide
CID 113030332

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide (CID 113023499) is 4-bromo-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide is CCCNc1ccc(NS(=O)(=O)c2ccc(Br)cc2)nc1.
What is the InChIKey of 4-bromo-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide?
The InChIKey is RTSZLICTXYLBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2S/c1-2-9-16-12-5-8-14(17-10-12)18-21(19,20)13-6-3-11(15)4-7-13/h3-8,10,16H,2,9H2,1H3,(H,17,18).
What are the key properties of 4-bromo-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide?
4-bromo-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide has a molecular weight of 370.27 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113023499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).