N-(5,6-dimethoxy-3-pyridinyl)-1,2-dimethylindole-3-sulfonamide

C17H19N3O4S — CID 167950722

IUPACN-(5,6-dimethoxy-3-pyridinyl)-1,2-dimethylindole-3-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2c(C)n(C)c3ccccc23)cnc1OC
InChIInChI=1S/C17H19N3O4S/c1-11-16(13-7-5-6-8-14(13)20(11)2)25(21,22)19-12-9-15(23-3)17(24-4)18-10-12/h5-10,19H,1-4H3
InChIKeyGYLXDBCDEXRUJO-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.70
Rot. Bonds5

About N-(5,6-dimethoxy-3-pyridinyl)-1,2-dimethylindole-3-sulfonamide

N-(5,6-dimethoxy-3-pyridinyl)-1,2-dimethylindole-3-sulfonamide (PubChem CID 167950722) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is N-(5,6-dimethoxy-3-pyridinyl)-1,2-dimethylindole-3-sulfonamide.

Molecular Properties

Compound NameN-(5,6-dimethoxy-3-pyridinyl)-1,2-dimethylindole-3-sulfonamide
PubChem CID167950722
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC NameN-(5,6-dimethoxy-3-pyridinyl)-1,2-dimethylindole-3-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2c(C)n(C)c3ccccc23)cnc1OC
InChIInChI=1S/C17H19N3O4S/c1-11-16(13-7-5-6-8-14(13)20(11)2)25(21,22)19-12-9-15(23-3)17(24-4)18-10-12/h5-10,19H,1-4H3
InChIKeyGYLXDBCDEXRUJO-UHFFFAOYSA-N
XLogP2.70
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,2-dimethylindole-3-sulfonyl fluoride
CID 82287934
1-(3,5-dimethoxyphenyl)-3-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]urea
CID 16918083
2,6-difluoro-N-(2-methoxypyrimidin-5-yl)benzenesulfonamide
CID 122301669
N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-1-methylindazole-3-carboxamide
CID 166748195
2-methoxy-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide
CID 71291563
2,3,4,5,6-pentamethyl-N-quinolin-3-ylbenzenesulfonamide
CID 3863946
5-(1,2-dimethylindol-3-yl)sulfonyl-2-methylaniline
CID 57152903
1-(2,4-dimethoxyphenyl)-3-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]urea
CID 16918061
N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113085626
(2R)-2-[(1,2-dimethylindol-3-yl)sulfonylamino]-4-methylpentanoic acid
CID 122069299
N-(5-bromo-6-chloro-3-pyridinyl)-2-methoxybenzenesulfonamide
CID 104826712
2-(1,2-dimethylindol-3-yl)sulfonylacetic acid
CID 82487302

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethoxy-3-pyridinyl)-1,2-dimethylindole-3-sulfonamide?
The IUPAC name of N-(5,6-dimethoxy-3-pyridinyl)-1,2-dimethylindole-3-sulfonamide (CID 167950722) is N-(5,6-dimethoxy-3-pyridinyl)-1,2-dimethylindole-3-sulfonamide.
What is the SMILES notation for N-(5,6-dimethoxy-3-pyridinyl)-1,2-dimethylindole-3-sulfonamide?
The canonical SMILES for N-(5,6-dimethoxy-3-pyridinyl)-1,2-dimethylindole-3-sulfonamide is COc1cc(NS(=O)(=O)c2c(C)n(C)c3ccccc23)cnc1OC.
What is the InChIKey of N-(5,6-dimethoxy-3-pyridinyl)-1,2-dimethylindole-3-sulfonamide?
The InChIKey is GYLXDBCDEXRUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-11-16(13-7-5-6-8-14(13)20(11)2)25(21,22)19-12-9-15(23-3)17(24-4)18-10-12/h5-10,19H,1-4H3.
What are the key properties of N-(5,6-dimethoxy-3-pyridinyl)-1,2-dimethylindole-3-sulfonamide?
N-(5,6-dimethoxy-3-pyridinyl)-1,2-dimethylindole-3-sulfonamide has a molecular weight of 361.42 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethoxy-3-pyridinyl)-1,2-dimethylindole-3-sulfonamide is sourced from PubChem (CID 167950722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).