4-chloro-N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-methoxybenzenesulfonamide

C19H21ClN2O3S — CID 1260172

IUPAC4-chloro-N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCCc2c(C)[nH]c3ccc(C)cc23)ccc1Cl
InChIInChI=1S/C19H21ClN2O3S/c1-12-4-7-18-16(10-12)15(13(2)22-18)8-9-21-26(23,24)14-5-6-17(20)19(11-14)25-3/h4-7,10-11,21-22H,8-9H2,1-3H3
InChIKeyWBQMAIBFZUPASQ-UHFFFAOYSA-N
MW392.91 g/mol
LogP3.97
Rot. Bonds6

About 4-chloro-N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-methoxybenzenesulfonamide

4-chloro-N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-methoxybenzenesulfonamide (PubChem CID 1260172) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is 4-chloro-N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-methoxybenzenesulfonamide
PubChem CID1260172
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC Name4-chloro-N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCCc2c(C)[nH]c3ccc(C)cc23)ccc1Cl
InChIInChI=1S/C19H21ClN2O3S/c1-12-4-7-18-16(10-12)15(13(2)22-18)8-9-21-26(23,24)14-5-6-17(20)19(11-14)25-3/h4-7,10-11,21-22H,8-9H2,1-3H3
InChIKeyWBQMAIBFZUPASQ-UHFFFAOYSA-N
XLogP3.97
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-ethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2239852
4-chloro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-3-methylbenzenesulfonamide
CID 113086165
N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-4-propan-2-yloxybenzenesulfonamide
CID 113086277
N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide
CID 113086252
N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 3314633
5-chloro-N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]thiophene-2-sulfonamide
CID 113086266
N-[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]-4-chlorobenzenesulfonamide
CID 122655775
4-ethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 3964819
2,5-dimethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 3419914
3-chloro-N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-methoxybenzenesulfonamide
CID 113102892
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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-methoxybenzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-methoxybenzenesulfonamide (CID 1260172) is 4-chloro-N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-methoxybenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-methoxybenzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-methoxybenzenesulfonamide is COc1cc(S(=O)(=O)NCCc2c(C)[nH]c3ccc(C)cc23)ccc1Cl.
What is the InChIKey of 4-chloro-N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-methoxybenzenesulfonamide?
The InChIKey is WBQMAIBFZUPASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-12-4-7-18-16(10-12)15(13(2)22-18)8-9-21-26(23,24)14-5-6-17(20)19(11-14)25-3/h4-7,10-11,21-22H,8-9H2,1-3H3.
What are the key properties of 4-chloro-N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-methoxybenzenesulfonamide?
4-chloro-N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-methoxybenzenesulfonamide has a molecular weight of 392.91 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-methoxybenzenesulfonamide is sourced from PubChem (CID 1260172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).