4-(tert-butylsulfamoyl)-N-quinolin-8-ylbenzamide

C20H21N3O3S — CID 31542150

IUPAC4-(tert-butylsulfamoyl)-N-quinolin-8-ylbenzamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2cccc3cccnc23)cc1
InChIInChI=1S/C20H21N3O3S/c1-20(2,3)23-27(25,26)16-11-9-15(10-12-16)19(24)22-17-8-4-6-14-7-5-13-21-18(14)17/h4-13,23H,1-3H3,(H,22,24)
InChIKeyJTHAAFLSHSMWRC-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.56
Rot. Bonds4

About 4-(tert-butylsulfamoyl)-N-quinolin-8-ylbenzamide

4-(tert-butylsulfamoyl)-N-quinolin-8-ylbenzamide (PubChem CID 31542150) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 4-(tert-butylsulfamoyl)-N-quinolin-8-ylbenzamide.

Molecular Properties

Compound Name4-(tert-butylsulfamoyl)-N-quinolin-8-ylbenzamide
PubChem CID31542150
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name4-(tert-butylsulfamoyl)-N-quinolin-8-ylbenzamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2cccc3cccnc23)cc1
InChIInChI=1S/C20H21N3O3S/c1-20(2,3)23-27(25,26)16-11-9-15(10-12-16)19(24)22-17-8-4-6-14-7-5-13-21-18(14)17/h4-13,23H,1-3H3,(H,22,24)
InChIKeyJTHAAFLSHSMWRC-UHFFFAOYSA-N
XLogP3.56
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(tert-butylsulfamoyl)-N-quinolin-8-ylfuran-2-carboxamide
CID 39927338
4-[(2-methoxyphenyl)sulfamoyl]-N-quinolin-8-ylbenzamide
CID 31321858
4-(dipropylsulfamoyl)-N-quinolin-8-ylbenzamide
CID 132575418
4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-ylbenzamide
CID 26123612
4-morpholin-4-ylsulfonyl-N-quinolin-8-ylbenzamide
CID 26123616
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-quinolin-8-ylbenzamide
CID 42906884
3-(propan-2-ylsulfamoyl)-N-quinolin-8-ylbenzamide
CID 31309454
4-(methylsulfanylmethyl)-N-quinolin-8-ylbenzamide
CID 31289054
1-N-(2-cyanophenyl)-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide
CID 109050221
4-(acetamidomethyl)-N-quinolin-8-ylbenzamide
CID 18196066
1-N-cyclopentyl-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide
CID 109044532
1,3-dimethyl-2-oxo-N-quinolin-8-ylbenzimidazole-5-carboxamide
CID 110765475

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfamoyl)-N-quinolin-8-ylbenzamide?
The IUPAC name of 4-(tert-butylsulfamoyl)-N-quinolin-8-ylbenzamide (CID 31542150) is 4-(tert-butylsulfamoyl)-N-quinolin-8-ylbenzamide.
What is the SMILES notation for 4-(tert-butylsulfamoyl)-N-quinolin-8-ylbenzamide?
The canonical SMILES for 4-(tert-butylsulfamoyl)-N-quinolin-8-ylbenzamide is CC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2cccc3cccnc23)cc1.
What is the InChIKey of 4-(tert-butylsulfamoyl)-N-quinolin-8-ylbenzamide?
The InChIKey is JTHAAFLSHSMWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-20(2,3)23-27(25,26)16-11-9-15(10-12-16)19(24)22-17-8-4-6-14-7-5-13-21-18(14)17/h4-13,23H,1-3H3,(H,22,24).
What are the key properties of 4-(tert-butylsulfamoyl)-N-quinolin-8-ylbenzamide?
4-(tert-butylsulfamoyl)-N-quinolin-8-ylbenzamide has a molecular weight of 383.47 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylsulfamoyl)-N-quinolin-8-ylbenzamide is sourced from PubChem (CID 31542150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).