2,4-dimethoxy-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide

C19H22N2O4S — CID 113083949

IUPAC2,4-dimethoxy-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2cn(C)c3ccccc23)c(OC)c1
InChIInChI=1S/C19H22N2O4S/c1-21-13-14(16-6-4-5-7-17(16)21)10-11-20-26(22,23)19-9-8-15(24-2)12-18(19)25-3/h4-9,12-13,20H,10-11H2,1-3H3
InChIKeyIIGGZZZXDIXOEC-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.72
Rot. Bonds7

About 2,4-dimethoxy-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide

2,4-dimethoxy-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide (PubChem CID 113083949) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide
PubChem CID113083949
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name2,4-dimethoxy-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2cn(C)c3ccccc23)c(OC)c1
InChIInChI=1S/C19H22N2O4S/c1-21-13-14(16-6-4-5-7-17(16)21)10-11-20-26(22,23)19-9-8-15(24-2)12-18(19)25-3/h4-9,12-13,20H,10-11H2,1-3H3
InChIKeyIIGGZZZXDIXOEC-UHFFFAOYSA-N
XLogP2.72
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethyl-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide
CID 113083935
2,4-dimethoxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 113085538
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 90535201
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 90490899
2,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 6468216
4-bromo-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide
CID 113083934
N-benzyl-2,4-dimethoxybenzenesulfonamide
CID 17375991
N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 97414088
N-[2-(4-chlorophenyl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 17435586
N-[2-(ethylamino)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 62664941
4-methoxy-2,6-dimethyl-N-[(1-methylindol-3-yl)methyl]benzenesulfonamide
CID 110371617
N-[2-(2-hydroxyphenyl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110605307

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2,4-dimethoxy-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide (CID 113083949) is 2,4-dimethoxy-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dimethoxy-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,4-dimethoxy-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCCc2cn(C)c3ccccc23)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is IIGGZZZXDIXOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-21-13-14(16-6-4-5-7-17(16)21)10-11-20-26(22,23)19-9-8-15(24-2)12-18(19)25-3/h4-9,12-13,20H,10-11H2,1-3H3.
What are the key properties of 2,4-dimethoxy-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide?
2,4-dimethoxy-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 374.46 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 113083949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).