N-(2-cyano-5,6-dimethoxy-1H-indol-3-yl)-4-methylbenzenesulfonamide

C18H17N3O4S — CID 86278736

IUPACN-(2-cyano-5,6-dimethoxy-1H-indol-3-yl)-4-methylbenzenesulfonamide
SMILESCOc1cc2[nH]c(C#N)c(NS(=O)(=O)c3ccc(C)cc3)c2cc1OC
InChIInChI=1S/C18H17N3O4S/c1-11-4-6-12(7-5-11)26(22,23)21-18-13-8-16(24-2)17(25-3)9-14(13)20-15(18)10-19/h4-9,20-21H,1-3H3
InChIKeyARVKQHLONNCZAW-UHFFFAOYSA-N
MW371.42 g/mol
LogP3.17
Rot. Bonds5

About N-(2-cyano-5,6-dimethoxy-1H-indol-3-yl)-4-methylbenzenesulfonamide

N-(2-cyano-5,6-dimethoxy-1H-indol-3-yl)-4-methylbenzenesulfonamide (PubChem CID 86278736) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is N-(2-cyano-5,6-dimethoxy-1H-indol-3-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-cyano-5,6-dimethoxy-1H-indol-3-yl)-4-methylbenzenesulfonamide
PubChem CID86278736
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC NameN-(2-cyano-5,6-dimethoxy-1H-indol-3-yl)-4-methylbenzenesulfonamide
SMILESCOc1cc2[nH]c(C#N)c(NS(=O)(=O)c3ccc(C)cc3)c2cc1OC
InChIInChI=1S/C18H17N3O4S/c1-11-4-6-12(7-5-11)26(22,23)21-18-13-8-16(24-2)17(25-3)9-14(13)20-15(18)10-19/h4-9,20-21H,1-3H3
InChIKeyARVKQHLONNCZAW-UHFFFAOYSA-N
XLogP3.17
TPSA104.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-(2,4,5-trimethoxyphenyl)benzenesulfonamide
CID 101056071
4-methyl-N-(2,4,6-trimethoxyphenyl)benzenesulfonamide
CID 110778552
N-[2-methoxy-4-[[3-methoxy-4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]phenyl]-4-methylbenzenesulfonamide
CID 1101866
4-methoxy-3-methyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 126126840
N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylbenzenesulfonamide
CID 169373450
N-[4-(aminomethyl)-2-methoxyphenyl]-4-methylbenzenesulfonamide
CID 104847775
N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methylbenzenesulfonamide
CID 121315047
N-[(1S)-1-cyano-1-(3,4-dimethoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 15981829
3-bromo-4-methoxy-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 39361432
N-(4-chloro-3-methoxyphenyl)-4-methylbenzenesulfonamide
CID 169369934
N-(4-bromo-3-methoxyphenyl)-4-methylbenzenesulfonamide
CID 169369936
N-(2,4-dicyano-6-methylphenyl)-4-methylbenzenesulfonamide
CID 169373023

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-5,6-dimethoxy-1H-indol-3-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(2-cyano-5,6-dimethoxy-1H-indol-3-yl)-4-methylbenzenesulfonamide (CID 86278736) is N-(2-cyano-5,6-dimethoxy-1H-indol-3-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-cyano-5,6-dimethoxy-1H-indol-3-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2-cyano-5,6-dimethoxy-1H-indol-3-yl)-4-methylbenzenesulfonamide is COc1cc2[nH]c(C#N)c(NS(=O)(=O)c3ccc(C)cc3)c2cc1OC.
What is the InChIKey of N-(2-cyano-5,6-dimethoxy-1H-indol-3-yl)-4-methylbenzenesulfonamide?
The InChIKey is ARVKQHLONNCZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-11-4-6-12(7-5-11)26(22,23)21-18-13-8-16(24-2)17(25-3)9-14(13)20-15(18)10-19/h4-9,20-21H,1-3H3.
What are the key properties of N-(2-cyano-5,6-dimethoxy-1H-indol-3-yl)-4-methylbenzenesulfonamide?
N-(2-cyano-5,6-dimethoxy-1H-indol-3-yl)-4-methylbenzenesulfonamide has a molecular weight of 371.42 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-5,6-dimethoxy-1H-indol-3-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 86278736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).