4-[(5-chloro-2,3-dihydroindol-1-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole

C13H13ClN2O3S — CID 110714201

IUPAC4-[(5-chloro-2,3-dihydroindol-1-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)N1CCc2cc(Cl)ccc21
InChIInChI=1S/C13H13ClN2O3S/c1-8-13(9(2)19-15-8)20(17,18)16-6-5-10-7-11(14)3-4-12(10)16/h3-4,7H,5-6H2,1-2H3
InChIKeyHPVFNRIXFQCGEP-UHFFFAOYSA-N
MW312.78 g/mol
LogP2.70
Rot. Bonds2

About 4-[(5-chloro-2,3-dihydroindol-1-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole

4-[(5-chloro-2,3-dihydroindol-1-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 110714201) has the molecular formula C13H13ClN2O3S and a molecular weight of 312.78 g/mol. Its IUPAC name is 4-[(5-chloro-2,3-dihydroindol-1-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[(5-chloro-2,3-dihydroindol-1-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole
PubChem CID110714201
Molecular FormulaC13H13ClN2O3S
Molecular Weight312.78 g/mol
Exact Mass312.03
IUPAC Name4-[(5-chloro-2,3-dihydroindol-1-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)N1CCc2cc(Cl)ccc21
InChIInChI=1S/C13H13ClN2O3S/c1-8-13(9(2)19-15-8)20(17,18)16-6-5-10-7-11(14)3-4-12(10)16/h3-4,7H,5-6H2,1-2H3
InChIKeyHPVFNRIXFQCGEP-UHFFFAOYSA-N
XLogP2.70
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.78
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(2,5-dichlorophenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 113080319
4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 20851639
4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 5013931
(5-chloro-2-hydroxyphenyl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone
CID 18119578
3,5-dimethyl-4-[4-(2,3,4-trifluorophenyl)piperazin-1-yl]sulfonyl-1,2-oxazole
CID 113081207
3,5-dimethyl-4-[(4-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,2-oxazole
CID 110737858
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,4-dihydro-1H-isoquinolin-7-amine
CID 28707261
4-[4-[2-(2,5-dichlorophenoxy)ethyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 112798679
N-(1-acetyl-2,3-dihydroindol-5-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 26923126
4-[2-(4-chlorophenyl)azepan-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 53096247
1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-5-amine
CID 28707138
5-[(5-chloro-2,3-dihydroindol-1-yl)sulfonyl]-1,3-dihydrobenzimidazol-2-one
CID 110714206

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2,3-dihydroindol-1-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[(5-chloro-2,3-dihydroindol-1-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole (CID 110714201) is 4-[(5-chloro-2,3-dihydroindol-1-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[(5-chloro-2,3-dihydroindol-1-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[(5-chloro-2,3-dihydroindol-1-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1S(=O)(=O)N1CCc2cc(Cl)ccc21.
What is the InChIKey of 4-[(5-chloro-2,3-dihydroindol-1-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is HPVFNRIXFQCGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3S/c1-8-13(9(2)19-15-8)20(17,18)16-6-5-10-7-11(14)3-4-12(10)16/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 4-[(5-chloro-2,3-dihydroindol-1-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole?
4-[(5-chloro-2,3-dihydroindol-1-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 312.78 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2,3-dihydroindol-1-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 110714201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).