N-(cyclopentylmethyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide

C16H22N2O3S — CID 110627587

IUPACN-(cyclopentylmethyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
SMILESCN1C(=O)CCc2cc(S(=O)(=O)NCC3CCCC3)ccc21
InChIInChI=1S/C16H22N2O3S/c1-18-15-8-7-14(10-13(15)6-9-16(18)19)22(20,21)17-11-12-4-2-3-5-12/h7-8,10,12,17H,2-6,9,11H2,1H3
InChIKeyHFWMOIOWTYMXFC-UHFFFAOYSA-N
MW322.43 g/mol
LogP2.06
Rot. Bonds4

About N-(cyclopentylmethyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide

N-(cyclopentylmethyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide (PubChem CID 110627587) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
PubChem CID110627587
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC NameN-(cyclopentylmethyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
SMILESCN1C(=O)CCc2cc(S(=O)(=O)NCC3CCCC3)ccc21
InChIInChI=1S/C16H22N2O3S/c1-18-15-8-7-14(10-13(15)6-9-16(18)19)22(20,21)17-11-12-4-2-3-5-12/h7-8,10,12,17H,2-6,9,11H2,1H3
InChIKeyHFWMOIOWTYMXFC-UHFFFAOYSA-N
XLogP2.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)sulfonylamino]acetamide
CID 110625100
N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
CID 110383196
1-methyl-2-oxo-N-(2,4,6-trimethylphenyl)-3,4-dihydroquinoline-6-sulfonamide
CID 110383213
N-(2,6-difluorophenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
CID 110383268
N-[3-(4-fluorophenoxy)propyl]-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
CID 110428886
2-N,7-N-bis(cyclopentylmethyl)-9-oxofluorene-2,7-disulfonamide
CID 172697362
N-(3,4-difluorophenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
CID 110383269
N-(2-chlorophenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
CID 110383218
6-[3-(ethoxymethyl)piperidin-1-yl]sulfonyl-1-methyl-3,4-dihydroquinolin-2-one
CID 110610346
2-N,7-N-bis(cyclohexylmethyl)-9-oxofluorene-2,7-disulfonamide
CID 136590042
N-(3-chlorophenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
CID 110383219
(2S)-1-acetyl-N-(cyclooctylmethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 97024862

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide?
The IUPAC name of N-(cyclopentylmethyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide (CID 110627587) is N-(cyclopentylmethyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide.
What is the SMILES notation for N-(cyclopentylmethyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide?
The canonical SMILES for N-(cyclopentylmethyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide is CN1C(=O)CCc2cc(S(=O)(=O)NCC3CCCC3)ccc21.
What is the InChIKey of N-(cyclopentylmethyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide?
The InChIKey is HFWMOIOWTYMXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-18-15-8-7-14(10-13(15)6-9-16(18)19)22(20,21)17-11-12-4-2-3-5-12/h7-8,10,12,17H,2-6,9,11H2,1H3.
What are the key properties of N-(cyclopentylmethyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide?
N-(cyclopentylmethyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide has a molecular weight of 322.43 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide is sourced from PubChem (CID 110627587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).