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

C20H18ClN3O3S2 — CID 18571920

IUPAC4-chloro-N-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]benzenesulfonamide
SMILESCC1Cc2ccccc2N1C(=O)Cc1csc(NS(=O)(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C20H18ClN3O3S2/c1-13-10-14-4-2-3-5-18(14)24(13)19(25)11-16-12-28-20(22-16)23-29(26,27)17-8-6-15(21)7-9-17/h2-9,12-13H,10-11H2,1H3,(H,22,23)
InChIKeyVUSNDKKFMQIRKF-UHFFFAOYSA-N
MW447.97 g/mol
LogP4.12
Rot. Bonds5

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

4-chloro-N-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]benzenesulfonamide (PubChem CID 18571920) has the molecular formula C20H18ClN3O3S2 and a molecular weight of 447.97 g/mol. Its IUPAC name is 4-chloro-N-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]benzenesulfonamide
PubChem CID18571920
Molecular FormulaC20H18ClN3O3S2
Molecular Weight447.97 g/mol
Exact Mass447.05
IUPAC Name4-chloro-N-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]benzenesulfonamide
SMILESCC1Cc2ccccc2N1C(=O)Cc1csc(NS(=O)(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C20H18ClN3O3S2/c1-13-10-14-4-2-3-5-18(14)24(13)19(25)11-16-12-28-20(22-16)23-29(26,27)17-8-6-15(21)7-9-17/h2-9,12-13H,10-11H2,1H3,(H,22,23)
InChIKeyVUSNDKKFMQIRKF-UHFFFAOYSA-N
XLogP4.12
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.97
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 29452795
N-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 16881409
2-methylpropyl N-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
CID 16884025
2-(4-chlorophenyl)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 41066115
1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 39080998
1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 39080997
3-(4-chlorophenyl)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 100589425
2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide
CID 18571924
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 110484549
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 42979604
4-chloro-N-[(4-chlorophenyl)methyl]-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide
CID 133179803
2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 18571918

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]benzenesulfonamide (CID 18571920) is 4-chloro-N-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]benzenesulfonamide is CC1Cc2ccccc2N1C(=O)Cc1csc(NS(=O)(=O)c2ccc(Cl)cc2)n1.
What is the InChIKey of 4-chloro-N-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]benzenesulfonamide?
The InChIKey is VUSNDKKFMQIRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3S2/c1-13-10-14-4-2-3-5-18(14)24(13)19(25)11-16-12-28-20(22-16)23-29(26,27)17-8-6-15(21)7-9-17/h2-9,12-13H,10-11H2,1H3,(H,22,23).
What are the key properties of 4-chloro-N-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]benzenesulfonamide?
4-chloro-N-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]benzenesulfonamide has a molecular weight of 447.97 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 18571920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).