N,1-dimethyl-N-(3,4,5-trimethoxyphenyl)indole-5-sulfonamide

C19H22N2O5S — CID 10157209

IUPACN,1-dimethyl-N-(3,4,5-trimethoxyphenyl)indole-5-sulfonamide
SMILESCOc1cc(N(C)S(=O)(=O)c2ccc3c(ccn3C)c2)cc(OC)c1OC
InChIInChI=1S/C19H22N2O5S/c1-20-9-8-13-10-15(6-7-16(13)20)27(22,23)21(2)14-11-17(24-3)19(26-5)18(12-14)25-4/h6-12H,1-5H3
InChIKeyVJSZYJNRPIOHSO-UHFFFAOYSA-N
MW390.46 g/mol
LogP3.03
Rot. Bonds6

About N,1-dimethyl-N-(3,4,5-trimethoxyphenyl)indole-5-sulfonamide

N,1-dimethyl-N-(3,4,5-trimethoxyphenyl)indole-5-sulfonamide (PubChem CID 10157209) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is N,1-dimethyl-N-(3,4,5-trimethoxyphenyl)indole-5-sulfonamide.

Molecular Properties

Compound NameN,1-dimethyl-N-(3,4,5-trimethoxyphenyl)indole-5-sulfonamide
PubChem CID10157209
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC NameN,1-dimethyl-N-(3,4,5-trimethoxyphenyl)indole-5-sulfonamide
SMILESCOc1cc(N(C)S(=O)(=O)c2ccc3c(ccn3C)c2)cc(OC)c1OC
InChIInChI=1S/C19H22N2O5S/c1-20-9-8-13-10-15(6-7-16(13)20)27(22,23)21(2)14-11-17(24-3)19(26-5)18(12-14)25-4/h6-12H,1-5H3
InChIKeyVJSZYJNRPIOHSO-UHFFFAOYSA-N
XLogP3.03
TPSA70.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-fluoroethyl)-1-methyl-N-(3,4,5-trimethoxyphenyl)indole-5-sulfonamide
CID 10202444
3,4,5-trimethoxy-N-methyl-N-(1-methylindol-5-yl)sulfanylaniline
CID 177336878
N-(2-hydroxyethyl)-3,4,5-trimethoxy-N-(1-methylindol-5-yl)benzenesulfonamide
CID 10194613
4-methoxy-N-methyl-3-nitro-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
CID 22344731
1-methyl-N-propyl-N-(3,4,5-trimethoxyphenyl)indol-5-amine
CID 90671569
5-methoxy-1-methylindole
CID 819864
N-(3,5-dimethylphenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 94622750
2,3-dimethoxy-5-[(Z)-2-(1-methylindol-5-yl)ethenyl]phenol;yttrium
CID 177336882
3-(1-methylindol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole
CID 91549721
N-(3,4-dimethoxyphenyl)-N-methyl-3-nitrobenzenesulfonamide
CID 94919629
N-methyl-5-nitro-N-(3,4,5-trimethoxyphenyl)-1H-indole-3-sulfonamide
CID 90799743
3-hydroxy-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 81258864

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-(3,4,5-trimethoxyphenyl)indole-5-sulfonamide?
The IUPAC name of N,1-dimethyl-N-(3,4,5-trimethoxyphenyl)indole-5-sulfonamide (CID 10157209) is N,1-dimethyl-N-(3,4,5-trimethoxyphenyl)indole-5-sulfonamide.
What is the SMILES notation for N,1-dimethyl-N-(3,4,5-trimethoxyphenyl)indole-5-sulfonamide?
The canonical SMILES for N,1-dimethyl-N-(3,4,5-trimethoxyphenyl)indole-5-sulfonamide is COc1cc(N(C)S(=O)(=O)c2ccc3c(ccn3C)c2)cc(OC)c1OC.
What is the InChIKey of N,1-dimethyl-N-(3,4,5-trimethoxyphenyl)indole-5-sulfonamide?
The InChIKey is VJSZYJNRPIOHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-20-9-8-13-10-15(6-7-16(13)20)27(22,23)21(2)14-11-17(24-3)19(26-5)18(12-14)25-4/h6-12H,1-5H3.
What are the key properties of N,1-dimethyl-N-(3,4,5-trimethoxyphenyl)indole-5-sulfonamide?
N,1-dimethyl-N-(3,4,5-trimethoxyphenyl)indole-5-sulfonamide has a molecular weight of 390.46 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-(3,4,5-trimethoxyphenyl)indole-5-sulfonamide is sourced from PubChem (CID 10157209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).