2,3,4-trimethoxy-N-(1-methylindol-6-yl)benzenesulfonamide

C18H20N2O5S — CID 91222582

IUPAC2,3,4-trimethoxy-N-(1-methylindol-6-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3ccn(C)c3c2)c(OC)c1OC
InChIInChI=1S/C18H20N2O5S/c1-20-10-9-12-5-6-13(11-14(12)20)19-26(21,22)16-8-7-15(23-2)17(24-3)18(16)25-4/h5-11,19H,1-4H3
InChIKeyCNGIDBFIYXTOOT-UHFFFAOYSA-N
MW376.43 g/mol
LogP3.00
Rot. Bonds6

About 2,3,4-trimethoxy-N-(1-methylindol-6-yl)benzenesulfonamide

2,3,4-trimethoxy-N-(1-methylindol-6-yl)benzenesulfonamide (PubChem CID 91222582) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is 2,3,4-trimethoxy-N-(1-methylindol-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,3,4-trimethoxy-N-(1-methylindol-6-yl)benzenesulfonamide
PubChem CID91222582
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Name2,3,4-trimethoxy-N-(1-methylindol-6-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3ccn(C)c3c2)c(OC)c1OC
InChIInChI=1S/C18H20N2O5S/c1-20-10-9-12-5-6-13(11-14(12)20)19-26(21,22)16-8-7-15(23-2)17(24-3)18(16)25-4/h5-11,19H,1-4H3
InChIKeyCNGIDBFIYXTOOT-UHFFFAOYSA-N
XLogP3.00
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dichloro-N-(1-methylindol-5-yl)benzenesulfonamide
CID 59823134
N-(4-chlorophenyl)-4-methoxynaphthalene-1-sulfonamide
CID 51702411
N-tert-butyl-1-methylindol-6-amine
CID 146573686
2,4-dimethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 22774026
N-[1-[2-(dimethylamino)ethyl]indol-6-yl]naphthalene-1-sulfonamide
CID 11176859
N-(3-chloro-4-methoxyphenyl)-1-methylindole-6-carboxamide
CID 112521520
5,6,7-trimethoxy-1-methylindole
CID 141308126
N-(3,4-dimethylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 19683549
N-(1-methylindol-5-yl)thiophene-2-sulfonamide
CID 110867814
2,3,4-trifluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide
CID 12016875
4-methoxy-N-(4-methoxy-3-methylphenyl)-2-methylbenzenesulfonamide
CID 110776438
N-[1-(1-amino-2-methylpropan-2-yl)indol-6-yl]naphthalene-1-sulfonamide
CID 174508396

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethoxy-N-(1-methylindol-6-yl)benzenesulfonamide?
The IUPAC name of 2,3,4-trimethoxy-N-(1-methylindol-6-yl)benzenesulfonamide (CID 91222582) is 2,3,4-trimethoxy-N-(1-methylindol-6-yl)benzenesulfonamide.
What is the SMILES notation for 2,3,4-trimethoxy-N-(1-methylindol-6-yl)benzenesulfonamide?
The canonical SMILES for 2,3,4-trimethoxy-N-(1-methylindol-6-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc3ccn(C)c3c2)c(OC)c1OC.
What is the InChIKey of 2,3,4-trimethoxy-N-(1-methylindol-6-yl)benzenesulfonamide?
The InChIKey is CNGIDBFIYXTOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-20-10-9-12-5-6-13(11-14(12)20)19-26(21,22)16-8-7-15(23-2)17(24-3)18(16)25-4/h5-11,19H,1-4H3.
What are the key properties of 2,3,4-trimethoxy-N-(1-methylindol-6-yl)benzenesulfonamide?
2,3,4-trimethoxy-N-(1-methylindol-6-yl)benzenesulfonamide has a molecular weight of 376.43 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethoxy-N-(1-methylindol-6-yl)benzenesulfonamide is sourced from PubChem (CID 91222582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).