N-(3-chloro-2-pyridinyl)-2-(propylamino)pyridine-3-sulfonamide

C13H15ClN4O2S — CID 103094788

IUPACN-(3-chloro-2-pyridinyl)-2-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ncccc1S(=O)(=O)Nc1ncccc1Cl
InChIInChI=1S/C13H15ClN4O2S/c1-2-7-15-13-11(6-4-9-17-13)21(19,20)18-12-10(14)5-3-8-16-12/h3-6,8-9H,2,7H2,1H3,(H,15,17)(H,16,18)
InChIKeyHRKUYKOQHSANHT-UHFFFAOYSA-N
MW326.81 g/mol
LogP2.75
Rot. Bonds6

About N-(3-chloro-2-pyridinyl)-2-(propylamino)pyridine-3-sulfonamide

N-(3-chloro-2-pyridinyl)-2-(propylamino)pyridine-3-sulfonamide (PubChem CID 103094788) has the molecular formula C13H15ClN4O2S and a molecular weight of 326.81 g/mol. Its IUPAC name is N-(3-chloro-2-pyridinyl)-2-(propylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyridinyl)-2-(propylamino)pyridine-3-sulfonamide
PubChem CID103094788
Molecular FormulaC13H15ClN4O2S
Molecular Weight326.81 g/mol
Exact Mass326.06
IUPAC NameN-(3-chloro-2-pyridinyl)-2-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ncccc1S(=O)(=O)Nc1ncccc1Cl
InChIInChI=1S/C13H15ClN4O2S/c1-2-7-15-13-11(6-4-9-17-13)21(19,20)18-12-10(14)5-3-8-16-12/h3-6,8-9H,2,7H2,1H3,(H,15,17)(H,16,18)
InChIKeyHRKUYKOQHSANHT-UHFFFAOYSA-N
XLogP2.75
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-iodophenyl)-2-(propylamino)pyridine-3-sulfonamide
CID 62144258
N-(2-methyl-4-pyridinyl)-2-(propylamino)pyridine-3-sulfonamide
CID 79233082
N-(3-methylphenyl)-2-(propylamino)pyridine-3-sulfonamide
CID 62149101
N-(3-chloro-2-pyridinyl)-2-(methylaminomethyl)benzenesulfonamide
CID 106086657
N-(5-fluoro-2-pyridinyl)-2-(propylamino)pyridine-3-sulfonamide
CID 65480888
N-(1,2-oxazol-4-yl)-2-(propylamino)pyridine-3-sulfonamide
CID 62915805
N-(2,2-difluoroethyl)-2-(propylamino)pyridine-3-sulfonamide
CID 113304047
N-pentan-2-yl-2-(propylamino)pyridine-3-sulfonamide
CID 55044262
3-(azocan-1-ylsulfonyl)-N-propylpyridin-2-amine
CID 62150305
N-(4-methylpentyl)-2-(propylamino)pyridine-3-sulfonamide
CID 63003516
2-chloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 5147339
N-(3-chloro-2-pyridinyl)-4-(propylamino)butane-1-sulfonamide
CID 106086632

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyridinyl)-2-(propylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(3-chloro-2-pyridinyl)-2-(propylamino)pyridine-3-sulfonamide (CID 103094788) is N-(3-chloro-2-pyridinyl)-2-(propylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(3-chloro-2-pyridinyl)-2-(propylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(3-chloro-2-pyridinyl)-2-(propylamino)pyridine-3-sulfonamide is CCCNc1ncccc1S(=O)(=O)Nc1ncccc1Cl.
What is the InChIKey of N-(3-chloro-2-pyridinyl)-2-(propylamino)pyridine-3-sulfonamide?
The InChIKey is HRKUYKOQHSANHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2S/c1-2-7-15-13-11(6-4-9-17-13)21(19,20)18-12-10(14)5-3-8-16-12/h3-6,8-9H,2,7H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-(3-chloro-2-pyridinyl)-2-(propylamino)pyridine-3-sulfonamide?
N-(3-chloro-2-pyridinyl)-2-(propylamino)pyridine-3-sulfonamide has a molecular weight of 326.81 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-pyridinyl)-2-(propylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 103094788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).