N-[(1-hydroxycyclopentyl)methyl]-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide

C16H22N2O4S — CID 110427448

IUPACN-[(1-hydroxycyclopentyl)methyl]-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
SMILESCN1C(=O)CCc2cc(S(=O)(=O)NCC3(O)CCCC3)ccc21
InChIInChI=1S/C16H22N2O4S/c1-18-14-6-5-13(10-12(14)4-7-15(18)19)23(21,22)17-11-16(20)8-2-3-9-16/h5-6,10,17,20H,2-4,7-9,11H2,1H3
InChIKeyWKHOFZICIHTKGQ-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.18
Rot. Bonds4

About N-[(1-hydroxycyclopentyl)methyl]-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide

N-[(1-hydroxycyclopentyl)methyl]-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide (PubChem CID 110427448) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-[(1-hydroxycyclopentyl)methyl]-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclopentyl)methyl]-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
PubChem CID110427448
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC NameN-[(1-hydroxycyclopentyl)methyl]-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
SMILESCN1C(=O)CCc2cc(S(=O)(=O)NCC3(O)CCCC3)ccc21
InChIInChI=1S/C16H22N2O4S/c1-18-14-6-5-13(10-12(14)4-7-15(18)19)23(21,22)17-11-16(20)8-2-3-9-16/h5-6,10,17,20H,2-4,7-9,11H2,1H3
InChIKeyWKHOFZICIHTKGQ-UHFFFAOYSA-N
XLogP1.18
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide?
The IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide (CID 110427448) is N-[(1-hydroxycyclopentyl)methyl]-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide.
What is the SMILES notation for N-[(1-hydroxycyclopentyl)methyl]-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide?
The canonical SMILES for N-[(1-hydroxycyclopentyl)methyl]-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide is CN1C(=O)CCc2cc(S(=O)(=O)NCC3(O)CCCC3)ccc21.
What is the InChIKey of N-[(1-hydroxycyclopentyl)methyl]-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide?
The InChIKey is WKHOFZICIHTKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-18-14-6-5-13(10-12(14)4-7-15(18)19)23(21,22)17-11-16(20)8-2-3-9-16/h5-6,10,17,20H,2-4,7-9,11H2,1H3.
What are the key properties of N-[(1-hydroxycyclopentyl)methyl]-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide?
N-[(1-hydroxycyclopentyl)methyl]-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide has a molecular weight of 338.43 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclopentyl)methyl]-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide is sourced from PubChem (CID 110427448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).