3-[(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)sulfonylamino]benzamide

C18H19N3O4S — CID 91938558

IUPAC3-[(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)sulfonylamino]benzamide
SMILESCC1(C)CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(N)=O)c3)cc21
InChIInChI=1S/C18H19N3O4S/c1-18(2)10-16(22)20-15-7-6-13(9-14(15)18)26(24,25)21-12-5-3-4-11(8-12)17(19)23/h3-9,21H,10H2,1-2H3,(H2,19,23)(H,20,22)
InChIKeyZJTMOMKDWMIBPP-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.21
Rot. Bonds4

About 3-[(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)sulfonylamino]benzamide

3-[(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)sulfonylamino]benzamide (PubChem CID 91938558) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is 3-[(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)sulfonylamino]benzamide.

Molecular Properties

Compound Name3-[(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)sulfonylamino]benzamide
PubChem CID91938558
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name3-[(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)sulfonylamino]benzamide
SMILESCC1(C)CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(N)=O)c3)cc21
InChIInChI=1S/C18H19N3O4S/c1-18(2)10-16(22)20-15-7-6-13(9-14(15)18)26(24,25)21-12-5-3-4-11(8-12)17(19)23/h3-9,21H,10H2,1-2H3,(H2,19,23)(H,20,22)
InChIKeyZJTMOMKDWMIBPP-UHFFFAOYSA-N
XLogP2.21
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyphenyl)-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide
CID 75361116
3-(naphthalen-2-ylsulfonylamino)benzamide
CID 18084662
N-[[1-(dimethylamino)cyclopentyl]methyl]-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide
CID 91958469
4,4-dimethyl-N-(4-methyl-2-pyridinyl)-2-oxo-1,3-dihydroquinoline-6-sulfonamide
CID 75361115
3-[(4-propan-2-ylphenyl)sulfonylamino]benzamide
CID 18084674
N-(3-acetylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 22548261
4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzamide
CID 7586418
N-(3-bromophenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 8015526
N-(3-methylphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 18197715
3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]benzoic acid
CID 18230441
N-(4-tert-butyl-1,3-thiazol-2-yl)-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide
CID 91938462
N-(3-acetylphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide
CID 53105681

Frequently Asked Questions

What is the IUPAC name of 3-[(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)sulfonylamino]benzamide?
The IUPAC name of 3-[(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)sulfonylamino]benzamide (CID 91938558) is 3-[(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)sulfonylamino]benzamide.
What is the SMILES notation for 3-[(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)sulfonylamino]benzamide?
The canonical SMILES for 3-[(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)sulfonylamino]benzamide is CC1(C)CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(N)=O)c3)cc21.
What is the InChIKey of 3-[(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)sulfonylamino]benzamide?
The InChIKey is ZJTMOMKDWMIBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-18(2)10-16(22)20-15-7-6-13(9-14(15)18)26(24,25)21-12-5-3-4-11(8-12)17(19)23/h3-9,21H,10H2,1-2H3,(H2,19,23)(H,20,22).
What are the key properties of 3-[(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)sulfonylamino]benzamide?
3-[(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)sulfonylamino]benzamide has a molecular weight of 373.43 g/mol, XLogP of 2.21, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)sulfonylamino]benzamide is sourced from PubChem (CID 91938558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).