3-chloro-N-ethyl-4-methoxy-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide

C20H23ClN2O4S — CID 125049653

IUPAC3-chloro-N-ethyl-4-methoxy-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
SMILESCCN(CC(=O)N1c2ccccc2C[C@H]1C)S(=O)(=O)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C20H23ClN2O4S/c1-4-22(28(25,26)16-9-10-19(27-3)17(21)12-16)13-20(24)23-14(2)11-15-7-5-6-8-18(15)23/h5-10,12,14H,4,11,13H2,1-3H3/t14-/m1/s1
InChIKeyPZXNGODJQSEGDB-CQSZACIVSA-N
MW422.93 g/mol
LogP3.34
Rot. Bonds6

About 3-chloro-N-ethyl-4-methoxy-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide

3-chloro-N-ethyl-4-methoxy-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide (PubChem CID 125049653) has the molecular formula C20H23ClN2O4S and a molecular weight of 422.93 g/mol. Its IUPAC name is 3-chloro-N-ethyl-4-methoxy-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-ethyl-4-methoxy-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
PubChem CID125049653
Molecular FormulaC20H23ClN2O4S
Molecular Weight422.93 g/mol
Exact Mass422.11
IUPAC Name3-chloro-N-ethyl-4-methoxy-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
SMILESCCN(CC(=O)N1c2ccccc2C[C@H]1C)S(=O)(=O)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C20H23ClN2O4S/c1-4-22(28(25,26)16-9-10-19(27-3)17(21)12-16)13-20(24)23-14(2)11-15-7-5-6-8-18(15)23/h5-10,12,14H,4,11,13H2,1-3H3/t14-/m1/s1
InChIKeyPZXNGODJQSEGDB-CQSZACIVSA-N
XLogP3.34
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.93
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-cyclohexyl-4-methoxy-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide
CID 133178440
3,4-dimethoxy-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(2-phenylethyl)benzenesulfonamide
CID 133179743
4-ethoxy-N-ethyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide
CID 133180016
3-chloro-N-ethyl-4-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 92645686
4-methoxy-3-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-phenylbenzenesulfonamide
CID 43900251
5-chloro-2-methoxy-N-methyl-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 125047772
N-cyclohexyl-3,4-dimethoxy-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide
CID 133179753
methyl 4-[2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate
CID 133159376
4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 100793407
4-ethoxy-N,3-dimethyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide
CID 133159289
4-chloro-N-[(4-chlorophenyl)methyl]-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide
CID 133179803
4-chloro-N-[(2-chlorophenyl)methyl]-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 100791923

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-4-methoxy-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-ethyl-4-methoxy-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide (CID 125049653) is 3-chloro-N-ethyl-4-methoxy-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-ethyl-4-methoxy-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-ethyl-4-methoxy-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide is CCN(CC(=O)N1c2ccccc2C[C@H]1C)S(=O)(=O)c1ccc(OC)c(Cl)c1.
What is the InChIKey of 3-chloro-N-ethyl-4-methoxy-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide?
The InChIKey is PZXNGODJQSEGDB-CQSZACIVSA-N. The full InChI is InChI=1S/C20H23ClN2O4S/c1-4-22(28(25,26)16-9-10-19(27-3)17(21)12-16)13-20(24)23-14(2)11-15-7-5-6-8-18(15)23/h5-10,12,14H,4,11,13H2,1-3H3/t14-/m1/s1.
What are the key properties of 3-chloro-N-ethyl-4-methoxy-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide?
3-chloro-N-ethyl-4-methoxy-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide has a molecular weight of 422.93 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-4-methoxy-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 125049653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).