N-(2-hydroxyethyl)-3,4,5-trimethoxy-N-(1-methylindol-5-yl)benzenesulfonamide

C20H24N2O6S — CID 10194613

IUPACN-(2-hydroxyethyl)-3,4,5-trimethoxy-N-(1-methylindol-5-yl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)N(CCO)c2ccc3c(ccn3C)c2)cc(OC)c1OC
InChIInChI=1S/C20H24N2O6S/c1-21-8-7-14-11-15(5-6-17(14)21)22(9-10-23)29(24,25)16-12-18(26-2)20(28-4)19(13-16)27-3/h5-8,11-13,23H,9-10H2,1-4H3
InChIKeyZJNYQLSDGLWKEJ-UHFFFAOYSA-N
MW420.49 g/mol
LogP2.39
Rot. Bonds8

About N-(2-hydroxyethyl)-3,4,5-trimethoxy-N-(1-methylindol-5-yl)benzenesulfonamide

N-(2-hydroxyethyl)-3,4,5-trimethoxy-N-(1-methylindol-5-yl)benzenesulfonamide (PubChem CID 10194613) has the molecular formula C20H24N2O6S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3,4,5-trimethoxy-N-(1-methylindol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3,4,5-trimethoxy-N-(1-methylindol-5-yl)benzenesulfonamide
PubChem CID10194613
Molecular FormulaC20H24N2O6S
Molecular Weight420.49 g/mol
Exact Mass420.14
IUPAC NameN-(2-hydroxyethyl)-3,4,5-trimethoxy-N-(1-methylindol-5-yl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)N(CCO)c2ccc3c(ccn3C)c2)cc(OC)c1OC
InChIInChI=1S/C20H24N2O6S/c1-21-8-7-14-11-15(5-6-17(14)21)22(9-10-23)29(24,25)16-12-18(26-2)20(28-4)19(13-16)27-3/h5-8,11-13,23H,9-10H2,1-4H3
InChIKeyZJNYQLSDGLWKEJ-UHFFFAOYSA-N
XLogP2.39
TPSA90.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3,4,5-trimethoxy-N-(1-methylindol-5-yl)benzenesulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-3,4,5-trimethoxy-N-(1-methylindol-5-yl)benzenesulfonamide (CID 10194613) is N-(2-hydroxyethyl)-3,4,5-trimethoxy-N-(1-methylindol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3,4,5-trimethoxy-N-(1-methylindol-5-yl)benzenesulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-3,4,5-trimethoxy-N-(1-methylindol-5-yl)benzenesulfonamide is COc1cc(S(=O)(=O)N(CCO)c2ccc3c(ccn3C)c2)cc(OC)c1OC.
What is the InChIKey of N-(2-hydroxyethyl)-3,4,5-trimethoxy-N-(1-methylindol-5-yl)benzenesulfonamide?
The InChIKey is ZJNYQLSDGLWKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6S/c1-21-8-7-14-11-15(5-6-17(14)21)22(9-10-23)29(24,25)16-12-18(26-2)20(28-4)19(13-16)27-3/h5-8,11-13,23H,9-10H2,1-4H3.
What are the key properties of N-(2-hydroxyethyl)-3,4,5-trimethoxy-N-(1-methylindol-5-yl)benzenesulfonamide?
N-(2-hydroxyethyl)-3,4,5-trimethoxy-N-(1-methylindol-5-yl)benzenesulfonamide has a molecular weight of 420.49 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3,4,5-trimethoxy-N-(1-methylindol-5-yl)benzenesulfonamide is sourced from PubChem (CID 10194613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).