1-(6-chloropyridine-3-carbonyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide

C16H16ClN3O3S — CID 154797051

IUPAC1-(6-chloropyridine-3-carbonyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)c1ccc(Cl)nc1)CC2
InChIInChI=1S/C16H16ClN3O3S/c1-19(2)24(22,23)13-5-3-11-7-8-20(14(11)9-13)16(21)12-4-6-15(17)18-10-12/h3-6,9-10H,7-8H2,1-2H3
InChIKeyIGEGEPUEKZMENU-UHFFFAOYSA-N
MW365.84 g/mol
LogP2.19
Rot. Bonds3

About 1-(6-chloropyridine-3-carbonyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide

1-(6-chloropyridine-3-carbonyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide (PubChem CID 154797051) has the molecular formula C16H16ClN3O3S and a molecular weight of 365.84 g/mol. Its IUPAC name is 1-(6-chloropyridine-3-carbonyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound Name1-(6-chloropyridine-3-carbonyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide
PubChem CID154797051
Molecular FormulaC16H16ClN3O3S
Molecular Weight365.84 g/mol
Exact Mass365.06
IUPAC Name1-(6-chloropyridine-3-carbonyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)c1ccc(Cl)nc1)CC2
InChIInChI=1S/C16H16ClN3O3S/c1-19(2)24(22,23)13-5-3-11-7-8-20(14(11)9-13)16(21)12-4-6-15(17)18-10-12/h3-6,9-10H,7-8H2,1-2H3
InChIKeyIGEGEPUEKZMENU-UHFFFAOYSA-N
XLogP2.19
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.84
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-dichloro-4-methoxybenzoyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide
CID 86958748
1-[(2S)-2-aminopropanoyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide
CID 119324906
N-[2-[6-(dimethylsulfamoyl)-2,3-dihydroindole-1-carbonyl]phenyl]benzamide
CID 167970462
1-(1-aminocyclopentanecarbonyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119324921
1-[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide
CID 86956982
1-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 38107052
1-(3,4-dichlorobenzoyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 26765696
[4-[4-[5-(dimethylsulfamoyl)-2,3-dihydroindole-1-carbonyl]phenyl]phenyl] acetate
CID 52527565
N,N-dimethyl-1-[2-(oxolan-2-yl)acetyl]-2,3-dihydroindole-6-sulfonamide
CID 56805828
(6-bromo-3-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103718991
N-cyclopentyl-1-[4-(dimethylsulfamoyl)benzoyl]-2,3-dihydroindole-5-sulfonamide
CID 19164501
N,N-dimethyl-1-(morpholine-3-carbonyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119785866

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyridine-3-carbonyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of 1-(6-chloropyridine-3-carbonyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide (CID 154797051) is 1-(6-chloropyridine-3-carbonyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for 1-(6-chloropyridine-3-carbonyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for 1-(6-chloropyridine-3-carbonyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide is CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)c1ccc(Cl)nc1)CC2.
What is the InChIKey of 1-(6-chloropyridine-3-carbonyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide?
The InChIKey is IGEGEPUEKZMENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3S/c1-19(2)24(22,23)13-5-3-11-7-8-20(14(11)9-13)16(21)12-4-6-15(17)18-10-12/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 1-(6-chloropyridine-3-carbonyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide?
1-(6-chloropyridine-3-carbonyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide has a molecular weight of 365.84 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyridine-3-carbonyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 154797051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).