N-[[7-(hydroxymethyl)-3H-indol-2-yl]methyl]-4-methoxy-N,2,6-trimethylbenzenesulfonamide

C20H24N2O4S — CID 58101805

IUPACN-[[7-(hydroxymethyl)-3H-indol-2-yl]methyl]-4-methoxy-N,2,6-trimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)N(C)CC2=Nc3c(CO)cccc3C2)c(C)c1
InChIInChI=1S/C20H24N2O4S/c1-13-8-18(26-4)9-14(2)20(13)27(24,25)22(3)11-17-10-15-6-5-7-16(12-23)19(15)21-17/h5-9,23H,10-12H2,1-4H3
InChIKeyDRBQLEWILYNUEA-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.75
Rot. Bonds6

About N-[[7-(hydroxymethyl)-3H-indol-2-yl]methyl]-4-methoxy-N,2,6-trimethylbenzenesulfonamide

N-[[7-(hydroxymethyl)-3H-indol-2-yl]methyl]-4-methoxy-N,2,6-trimethylbenzenesulfonamide (PubChem CID 58101805) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[[7-(hydroxymethyl)-3H-indol-2-yl]methyl]-4-methoxy-N,2,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[7-(hydroxymethyl)-3H-indol-2-yl]methyl]-4-methoxy-N,2,6-trimethylbenzenesulfonamide
PubChem CID58101805
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-[[7-(hydroxymethyl)-3H-indol-2-yl]methyl]-4-methoxy-N,2,6-trimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)N(C)CC2=Nc3c(CO)cccc3C2)c(C)c1
InChIInChI=1S/C20H24N2O4S/c1-13-8-18(26-4)9-14(2)20(13)27(24,25)22(3)11-17-10-15-6-5-7-16(12-23)19(15)21-17/h5-9,23H,10-12H2,1-4H3
InChIKeyDRBQLEWILYNUEA-UHFFFAOYSA-N
XLogP2.75
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[7-(hydroxymethyl)-3H-indol-2-yl]methyl]-4-methoxy-N,2,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[[7-(hydroxymethyl)-3H-indol-2-yl]methyl]-4-methoxy-N,2,6-trimethylbenzenesulfonamide (CID 58101805) is N-[[7-(hydroxymethyl)-3H-indol-2-yl]methyl]-4-methoxy-N,2,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[[7-(hydroxymethyl)-3H-indol-2-yl]methyl]-4-methoxy-N,2,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[[7-(hydroxymethyl)-3H-indol-2-yl]methyl]-4-methoxy-N,2,6-trimethylbenzenesulfonamide is COc1cc(C)c(S(=O)(=O)N(C)CC2=Nc3c(CO)cccc3C2)c(C)c1.
What is the InChIKey of N-[[7-(hydroxymethyl)-3H-indol-2-yl]methyl]-4-methoxy-N,2,6-trimethylbenzenesulfonamide?
The InChIKey is DRBQLEWILYNUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-13-8-18(26-4)9-14(2)20(13)27(24,25)22(3)11-17-10-15-6-5-7-16(12-23)19(15)21-17/h5-9,23H,10-12H2,1-4H3.
What are the key properties of N-[[7-(hydroxymethyl)-3H-indol-2-yl]methyl]-4-methoxy-N,2,6-trimethylbenzenesulfonamide?
N-[[7-(hydroxymethyl)-3H-indol-2-yl]methyl]-4-methoxy-N,2,6-trimethylbenzenesulfonamide has a molecular weight of 388.49 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(hydroxymethyl)-3H-indol-2-yl]methyl]-4-methoxy-N,2,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 58101805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).