5-chloro-2-methoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide

C18H19ClN2O4S — CID 113083673

IUPAC5-chloro-2-methoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc2[nH]cc(CCNS(=O)(=O)c3cc(Cl)ccc3OC)c2c1
InChIInChI=1S/C18H19ClN2O4S/c1-24-14-4-5-16-15(10-14)12(11-20-16)7-8-21-26(22,23)18-9-13(19)3-6-17(18)25-2/h3-6,9-11,20-21H,7-8H2,1-2H3
InChIKeyPHFWYFFIPSOFPO-UHFFFAOYSA-N
MW394.88 g/mol
LogP3.36
Rot. Bonds7

About 5-chloro-2-methoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide

5-chloro-2-methoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide (PubChem CID 113083673) has the molecular formula C18H19ClN2O4S and a molecular weight of 394.88 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide
PubChem CID113083673
Molecular FormulaC18H19ClN2O4S
Molecular Weight394.88 g/mol
Exact Mass394.08
IUPAC Name5-chloro-2-methoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc2[nH]cc(CCNS(=O)(=O)c3cc(Cl)ccc3OC)c2c1
InChIInChI=1S/C18H19ClN2O4S/c1-24-14-4-5-16-15(10-14)12(11-20-16)7-8-21-26(22,23)18-9-13(19)3-6-17(18)25-2/h3-6,9-11,20-21H,7-8H2,1-2H3
InChIKeyPHFWYFFIPSOFPO-UHFFFAOYSA-N
XLogP3.36
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dichloro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 6733520
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide
CID 113083697
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-nitrobenzenesulfonamide
CID 17271743
4-chloro-N-[(5-methoxy-1H-indol-3-yl)methyl]benzenesulfonamide
CID 169029431
2,5-dimethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 3419914
N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2991494
5-chloro-2-methoxy-N-propylbenzenesulfonamide
CID 2234484
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-fluorobenzenesulfonamide
CID 3161292
6-(4-chlorophenyl)sulfonyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyridazin-3-amine
CID 53006760
5-chloro-2-methoxy-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide
CID 110789299
N-[2-(4-chlorophenyl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 17435586
3,4-dimethoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide
CID 2988177

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide (CID 113083673) is 5-chloro-2-methoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide is COc1ccc2[nH]cc(CCNS(=O)(=O)c3cc(Cl)ccc3OC)c2c1.
What is the InChIKey of 5-chloro-2-methoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is PHFWYFFIPSOFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4S/c1-24-14-4-5-16-15(10-14)12(11-20-16)7-8-21-26(22,23)18-9-13(19)3-6-17(18)25-2/h3-6,9-11,20-21H,7-8H2,1-2H3.
What are the key properties of 5-chloro-2-methoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide?
5-chloro-2-methoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 394.88 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 113083673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).