N-(3-chloro-2-pyridinyl)-2,3-dihydro-1H-indole-6-sulfonamide

C13H12ClN3O2S — CID 103094668

IUPACN-(3-chloro-2-pyridinyl)-2,3-dihydro-1H-indole-6-sulfonamide
SMILESO=S(=O)(Nc1ncccc1Cl)c1ccc2c(c1)NCC2
InChIInChI=1S/C13H12ClN3O2S/c14-11-2-1-6-16-13(11)17-20(18,19)10-4-3-9-5-7-15-12(9)8-10/h1-4,6,8,15H,5,7H2,(H,16,17)
InChIKeyZXBIEGJFVNGVSX-UHFFFAOYSA-N
MW309.78 g/mol
LogP2.50
Rot. Bonds3

About N-(3-chloro-2-pyridinyl)-2,3-dihydro-1H-indole-6-sulfonamide

N-(3-chloro-2-pyridinyl)-2,3-dihydro-1H-indole-6-sulfonamide (PubChem CID 103094668) has the molecular formula C13H12ClN3O2S and a molecular weight of 309.78 g/mol. Its IUPAC name is N-(3-chloro-2-pyridinyl)-2,3-dihydro-1H-indole-6-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyridinyl)-2,3-dihydro-1H-indole-6-sulfonamide
PubChem CID103094668
Molecular FormulaC13H12ClN3O2S
Molecular Weight309.78 g/mol
Exact Mass309.03
IUPAC NameN-(3-chloro-2-pyridinyl)-2,3-dihydro-1H-indole-6-sulfonamide
SMILESO=S(=O)(Nc1ncccc1Cl)c1ccc2c(c1)NCC2
InChIInChI=1S/C13H12ClN3O2S/c14-11-2-1-6-16-13(11)17-20(18,19)10-4-3-9-5-7-15-12(9)8-10/h1-4,6,8,15H,5,7H2,(H,16,17)
InChIKeyZXBIEGJFVNGVSX-UHFFFAOYSA-N
XLogP2.50
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.78
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(3-chloro-2-pyridinyl)benzenesulfonamide
CID 103886271
N-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 103943863
N-(3-chloro-2-pyridinyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 103094687
3-amino-N-(3-chloro-2-pyridinyl)-4-fluorobenzenesulfonamide
CID 103093961
4-bromo-N-(3-chloro-2-pyridinyl)-3-methylbenzenesulfonamide
CID 103943858
3-bromo-N-(3-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide
CID 103943880
N-thiophen-3-yl-2,3-dihydro-1H-indole-6-sulfonamide
CID 66356499
N-(4,6-dimethyl-2-pyridinyl)-2,3-dihydro-1H-indole-6-sulfonamide
CID 114932717
N-(5-methyl-3-pyridinyl)-2,3-dihydro-1H-indole-6-sulfonamide
CID 107585860
4-(2-chloroethyl)-N-(3-chloro-2-pyridinyl)benzenesulfonamide
CID 103943864
N-(3-fluoro-2-pyridinyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 84598051
N-(2-chloro-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 26969819

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyridinyl)-2,3-dihydro-1H-indole-6-sulfonamide?
The IUPAC name of N-(3-chloro-2-pyridinyl)-2,3-dihydro-1H-indole-6-sulfonamide (CID 103094668) is N-(3-chloro-2-pyridinyl)-2,3-dihydro-1H-indole-6-sulfonamide.
What is the SMILES notation for N-(3-chloro-2-pyridinyl)-2,3-dihydro-1H-indole-6-sulfonamide?
The canonical SMILES for N-(3-chloro-2-pyridinyl)-2,3-dihydro-1H-indole-6-sulfonamide is O=S(=O)(Nc1ncccc1Cl)c1ccc2c(c1)NCC2.
What is the InChIKey of N-(3-chloro-2-pyridinyl)-2,3-dihydro-1H-indole-6-sulfonamide?
The InChIKey is ZXBIEGJFVNGVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2S/c14-11-2-1-6-16-13(11)17-20(18,19)10-4-3-9-5-7-15-12(9)8-10/h1-4,6,8,15H,5,7H2,(H,16,17).
What are the key properties of N-(3-chloro-2-pyridinyl)-2,3-dihydro-1H-indole-6-sulfonamide?
N-(3-chloro-2-pyridinyl)-2,3-dihydro-1H-indole-6-sulfonamide has a molecular weight of 309.78 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-pyridinyl)-2,3-dihydro-1H-indole-6-sulfonamide is sourced from PubChem (CID 103094668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).