N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide

C13H13N3O3S2 — CID 110756980

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCc1nc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)sc1C
InChIInChI=1S/C13H13N3O3S2/c1-7-8(2)20-13(14-7)16-21(18,19)10-3-4-11-9(5-10)6-12(17)15-11/h3-5H,6H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyWQYUYMPYGPDAKA-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.06
Rot. Bonds3

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 110756980) has the molecular formula C13H13N3O3S2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID110756980
Molecular FormulaC13H13N3O3S2
Molecular Weight323.40 g/mol
Exact Mass323.04
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCc1nc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)sc1C
InChIInChI=1S/C13H13N3O3S2/c1-7-8(2)20-13(14-7)16-21(18,19)10-3-4-11-9(5-10)6-12(17)15-11/h3-5H,6H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyWQYUYMPYGPDAKA-UHFFFAOYSA-N
XLogP2.06
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
CID 110675394
2-oxo-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-dihydroindole-5-sulfonamide
CID 9055823
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 71890317
N-(3-methylphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 18197715
N'-(4,6-dimethylpyrimidin-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonohydrazide
CID 9055811
4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbenzenesulfonamide
CID 60675416
N-(3,4-dichlorophenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9055840
N-(4-fluoro-2-methylphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 7667496
2-oxo-N-pyridin-2-yl-1,3-dihydroindole-5-sulfonamide
CID 110756782
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110756975
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dimethylbenzimidazole-5-sulfonamide
CID 110760475
N-(5-chloropyrazin-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 103580637

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 110756980) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide is Cc1nc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is WQYUYMPYGPDAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S2/c1-7-8(2)20-13(14-7)16-21(18,19)10-3-4-11-9(5-10)6-12(17)15-11/h3-5H,6H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 323.40 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 110756980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).