3-[methyl(propan-2-yl)sulfamoyl]-N-quinolin-8-ylbenzamide

C20H21N3O3S — CID 26123442

IUPAC3-[methyl(propan-2-yl)sulfamoyl]-N-quinolin-8-ylbenzamide
SMILESCC(C)N(C)S(=O)(=O)c1cccc(C(=O)Nc2cccc3cccnc23)c1
InChIInChI=1S/C20H21N3O3S/c1-14(2)23(3)27(25,26)17-10-4-8-16(13-17)20(24)22-18-11-5-7-15-9-6-12-21-19(15)18/h4-14H,1-3H3,(H,22,24)
InChIKeyKYTXKQWXXNORJC-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.52
Rot. Bonds5

About 3-[methyl(propan-2-yl)sulfamoyl]-N-quinolin-8-ylbenzamide

3-[methyl(propan-2-yl)sulfamoyl]-N-quinolin-8-ylbenzamide (PubChem CID 26123442) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 3-[methyl(propan-2-yl)sulfamoyl]-N-quinolin-8-ylbenzamide.

Molecular Properties

Compound Name3-[methyl(propan-2-yl)sulfamoyl]-N-quinolin-8-ylbenzamide
PubChem CID26123442
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name3-[methyl(propan-2-yl)sulfamoyl]-N-quinolin-8-ylbenzamide
SMILESCC(C)N(C)S(=O)(=O)c1cccc(C(=O)Nc2cccc3cccnc23)c1
InChIInChI=1S/C20H21N3O3S/c1-14(2)23(3)27(25,26)17-10-4-8-16(13-17)20(24)22-18-11-5-7-15-9-6-12-21-19(15)18/h4-14H,1-3H3,(H,22,24)
InChIKeyKYTXKQWXXNORJC-UHFFFAOYSA-N
XLogP3.52
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(propan-2-ylsulfamoyl)-N-quinolin-8-ylbenzamide
CID 31309454
3-[(3-chlorophenyl)-methylsulfamoyl]-N-quinolin-8-ylbenzamide
CID 26123697
N-(2-ethylphenyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 8839459
3-N-methyl-3-N-phenyl-1-N-quinolin-8-ylbenzene-1,3-dicarboxamide
CID 109057063
N-(3,5-dimethylphenyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 26696266
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 31893109
4-(dipropylsulfamoyl)-N-quinolin-8-ylbenzamide
CID 132575418
N-(2-cyclopentylsulfanylphenyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 32559097
[1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 55422135
2-hydrazinyl-N-quinolin-8-ylpyridine-4-carboxamide
CID 62235936
3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-quinolin-8-ylbenzamide
CID 17425201
(2S)-2-(dimethylamino)-N-quinolin-8-ylpropanamide
CID 59003766

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(propan-2-yl)sulfamoyl]-N-quinolin-8-ylbenzamide?
The IUPAC name of 3-[methyl(propan-2-yl)sulfamoyl]-N-quinolin-8-ylbenzamide (CID 26123442) is 3-[methyl(propan-2-yl)sulfamoyl]-N-quinolin-8-ylbenzamide.
What is the SMILES notation for 3-[methyl(propan-2-yl)sulfamoyl]-N-quinolin-8-ylbenzamide?
The canonical SMILES for 3-[methyl(propan-2-yl)sulfamoyl]-N-quinolin-8-ylbenzamide is CC(C)N(C)S(=O)(=O)c1cccc(C(=O)Nc2cccc3cccnc23)c1.
What is the InChIKey of 3-[methyl(propan-2-yl)sulfamoyl]-N-quinolin-8-ylbenzamide?
The InChIKey is KYTXKQWXXNORJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-14(2)23(3)27(25,26)17-10-4-8-16(13-17)20(24)22-18-11-5-7-15-9-6-12-21-19(15)18/h4-14H,1-3H3,(H,22,24).
What are the key properties of 3-[methyl(propan-2-yl)sulfamoyl]-N-quinolin-8-ylbenzamide?
3-[methyl(propan-2-yl)sulfamoyl]-N-quinolin-8-ylbenzamide has a molecular weight of 383.47 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(propan-2-yl)sulfamoyl]-N-quinolin-8-ylbenzamide is sourced from PubChem (CID 26123442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).