2-chloro-N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-5-sulfonamide

C19H20ClN3O3S — CID 118094028

IUPAC2-chloro-N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-5-sulfonamide
SMILESCc1noc(C)c1-c1cc(S(=O)(=O)NC2CCCC2)c2ccc(Cl)nc2c1
InChIInChI=1S/C19H20ClN3O3S/c1-11-19(12(2)26-22-11)13-9-16-15(7-8-18(20)21-16)17(10-13)27(24,25)23-14-5-3-4-6-14/h7-10,14,23H,3-6H2,1-2H3
InChIKeyRSYYMISEQQOCEP-UHFFFAOYSA-N
MW405.91 g/mol
LogP4.38
Rot. Bonds4

About 2-chloro-N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-5-sulfonamide

2-chloro-N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-5-sulfonamide (PubChem CID 118094028) has the molecular formula C19H20ClN3O3S and a molecular weight of 405.91 g/mol. Its IUPAC name is 2-chloro-N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-5-sulfonamide
PubChem CID118094028
Molecular FormulaC19H20ClN3O3S
Molecular Weight405.91 g/mol
Exact Mass405.09
IUPAC Name2-chloro-N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-5-sulfonamide
SMILESCc1noc(C)c1-c1cc(S(=O)(=O)NC2CCCC2)c2ccc(Cl)nc2c1
InChIInChI=1S/C19H20ClN3O3S/c1-11-19(12(2)26-22-11)13-9-16-15(7-8-18(20)21-16)17(10-13)27(24,25)23-14-5-3-4-6-14/h7-10,14,23H,3-6H2,1-2H3
InChIKeyRSYYMISEQQOCEP-UHFFFAOYSA-N
XLogP4.38
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.91
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-5-sulfonamide?
The IUPAC name of 2-chloro-N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-5-sulfonamide (CID 118094028) is 2-chloro-N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-5-sulfonamide?
The canonical SMILES for 2-chloro-N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-5-sulfonamide is Cc1noc(C)c1-c1cc(S(=O)(=O)NC2CCCC2)c2ccc(Cl)nc2c1.
What is the InChIKey of 2-chloro-N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-5-sulfonamide?
The InChIKey is RSYYMISEQQOCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3S/c1-11-19(12(2)26-22-11)13-9-16-15(7-8-18(20)21-16)17(10-13)27(24,25)23-14-5-3-4-6-14/h7-10,14,23H,3-6H2,1-2H3.
What are the key properties of 2-chloro-N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-5-sulfonamide?
2-chloro-N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-5-sulfonamide has a molecular weight of 405.91 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-5-sulfonamide is sourced from PubChem (CID 118094028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).