N-[(2S)-butan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

C13H18N2O3S — CID 41098440

IUPACN-[(2S)-butan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCC[C@H](C)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C13H18N2O3S/c1-3-9(2)15-19(17,18)11-5-6-12-10(8-11)4-7-13(16)14-12/h5-6,8-9,15H,3-4,7H2,1-2H3,(H,14,16)/t9-/m0/s1
InChIKeyHSKCMYBTNOORQB-VIFPVBQESA-N
MW282.37 g/mol
LogP1.65
Rot. Bonds4

About N-[(2S)-butan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

N-[(2S)-butan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (PubChem CID 41098440) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
PubChem CID41098440
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC NameN-[(2S)-butan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCC[C@H](C)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C13H18N2O3S/c1-3-9(2)15-19(17,18)11-5-6-12-10(8-11)4-7-13(16)14-12/h5-6,8-9,15H,3-4,7H2,1-2H3,(H,14,16)/t9-/m0/s1
InChIKeyHSKCMYBTNOORQB-VIFPVBQESA-N
XLogP1.65
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-butan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide with MolForge

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Related Compounds

2-oxo-N-[1-(4-propan-2-ylphenyl)ethyl]-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 55383913
N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 8801198
N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 28537936
methyl (2R)-3-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]butanoate
CID 41012958
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]hexanoic acid
CID 16762964
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 8800124
N-(1,2-diphenylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 46557664
N-(2-hydroxyethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 96667560
N-butan-2-yl-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
CID 56687358
N-[(2R)-2-(ethylamino)propyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide;hydrochloride
CID 120664921
N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]acetamide
CID 8801657
2-oxo-N-(3-propan-2-ylphenyl)-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 8519442

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (CID 41098440) is N-[(2S)-butan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The InChIKey is HSKCMYBTNOORQB-VIFPVBQESA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-3-9(2)15-19(17,18)11-5-6-12-10(8-11)4-7-13(16)14-12/h5-6,8-9,15H,3-4,7H2,1-2H3,(H,14,16)/t9-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
N-[(2S)-butan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide has a molecular weight of 282.37 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 41098440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).