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

C20H23ClN2O4S — CID 2239852

IUPAC4-chloro-3-ethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)NCCc2c(C)[nH]c3ccc(OC)cc23)ccc1Cl
InChIInChI=1S/C20H23ClN2O4S/c1-4-27-20-12-15(6-7-18(20)21)28(24,25)22-10-9-16-13(2)23-19-8-5-14(26-3)11-17(16)19/h5-8,11-12,22-23H,4,9-10H2,1-3H3
InChIKeyLQPYWFAIPIEYEI-UHFFFAOYSA-N
MW422.93 g/mol
LogP4.06
Rot. Bonds8

About 4-chloro-3-ethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide

4-chloro-3-ethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide (PubChem CID 2239852) has the molecular formula C20H23ClN2O4S and a molecular weight of 422.93 g/mol. Its IUPAC name is 4-chloro-3-ethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-ethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
PubChem CID2239852
Molecular FormulaC20H23ClN2O4S
Molecular Weight422.93 g/mol
Exact Mass422.11
IUPAC Name4-chloro-3-ethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)NCCc2c(C)[nH]c3ccc(OC)cc23)ccc1Cl
InChIInChI=1S/C20H23ClN2O4S/c1-4-27-20-12-15(6-7-18(20)21)28(24,25)22-10-9-16-13(2)23-19-8-5-14(26-3)11-17(16)19/h5-8,11-12,22-23H,4,9-10H2,1-3H3
InChIKeyLQPYWFAIPIEYEI-UHFFFAOYSA-N
XLogP4.06
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.93
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-3-methylbenzenesulfonamide
CID 113086165
4-ethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 3964819
4-chloro-N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-methoxybenzenesulfonamide
CID 1260172
2,5-dimethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 3419914
2,5-dimethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-4-methylbenzenesulfonamide
CID 15944031
N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 113085965
4-chloro-3-ethoxy-N-ethylbenzenesulfonamide
CID 6459389
4-chloro-3-ethoxy-N-(3-methoxypropyl)benzenesulfonamide
CID 27245832
3,4-dichloro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 6733520
2,4-dimethoxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 113085538
N-[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]-4-chlorobenzenesulfonamide
CID 122655775
N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-4-propan-2-yloxybenzenesulfonamide
CID 113086277

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-ethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-3-ethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide (CID 2239852) is 4-chloro-3-ethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-3-ethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-3-ethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide is CCOc1cc(S(=O)(=O)NCCc2c(C)[nH]c3ccc(OC)cc23)ccc1Cl.
What is the InChIKey of 4-chloro-3-ethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is LQPYWFAIPIEYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4S/c1-4-27-20-12-15(6-7-18(20)21)28(24,25)22-10-9-16-13(2)23-19-8-5-14(26-3)11-17(16)19/h5-8,11-12,22-23H,4,9-10H2,1-3H3.
What are the key properties of 4-chloro-3-ethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide?
4-chloro-3-ethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 422.93 g/mol, XLogP of 4.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-ethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 2239852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).