N-tert-butyl-6-[(4-chlorophenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxamide

C21H22ClN3O4S — CID 4615282

IUPACN-tert-butyl-6-[(4-chlorophenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc2[nH]cc(C(=O)NC(C)(C)C)c(=O)c2c1
InChIInChI=1S/C21H22ClN3O4S/c1-21(2,3)24-20(27)17-12-23-18-10-9-15(11-16(18)19(17)26)30(28,29)25(4)14-7-5-13(22)6-8-14/h5-12H,1-4H3,(H,23,26)(H,24,27)
InChIKeyONWXZBKFJIOTFN-UHFFFAOYSA-N
MW447.94 g/mol
LogP3.53
Rot. Bonds4

About N-tert-butyl-6-[(4-chlorophenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxamide

N-tert-butyl-6-[(4-chlorophenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 4615282) has the molecular formula C21H22ClN3O4S and a molecular weight of 447.94 g/mol. Its IUPAC name is N-tert-butyl-6-[(4-chlorophenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-6-[(4-chlorophenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID4615282
Molecular FormulaC21H22ClN3O4S
Molecular Weight447.94 g/mol
Exact Mass447.10
IUPAC NameN-tert-butyl-6-[(4-chlorophenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc2[nH]cc(C(=O)NC(C)(C)C)c(=O)c2c1
InChIInChI=1S/C21H22ClN3O4S/c1-21(2,3)24-20(27)17-12-23-18-10-9-15(11-16(18)19(17)26)30(28,29)25(4)14-7-5-13(22)6-8-14/h5-12H,1-4H3,(H,23,26)(H,24,27)
InChIKeyONWXZBKFJIOTFN-UHFFFAOYSA-N
XLogP3.53
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.94
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-6-[(4-chlorophenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-6-[(2,5-dimethylphenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxamide
CID 15996400
6-[(3,4-dimethylphenyl)-methylsulfamoyl]-4-oxo-N-propan-2-yl-1H-quinoline-3-carboxamide
CID 3465923
6-[(4-fluorophenyl)-methylsulfamoyl]-4-oxo-N-propyl-1H-quinoline-3-carboxamide
CID 4654060
N-butyl-6-[(4-fluorophenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxamide
CID 126479543
N-(3-methoxypropyl)-6-[methyl-(4-propan-2-ylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide
CID 3293430
6-[(3,4-dimethylphenyl)-methylsulfamoyl]-N-(2-methoxyethyl)-4-oxo-1H-quinoline-3-carboxamide
CID 3371833
6-[(4-ethylphenyl)-methylsulfamoyl]-N-(furan-2-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide
CID 3435383
6-[methyl-(2-methylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylate
CID 4121031
N-tert-butyl-8-chloro-6,7-dihydroxy-4-oxo-1H-quinoline-3-carboxamide
CID 118460150
3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(4-ethylphenyl)-N-methyl-4-oxo-1H-quinoline-6-sulfonamide
CID 3437093
6-[benzyl(methyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylate
CID 4050234
6-(diethylsulfamoyl)-N-[(3-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 141331217

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-[(4-chlorophenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-tert-butyl-6-[(4-chlorophenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxamide (CID 4615282) is N-tert-butyl-6-[(4-chlorophenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-tert-butyl-6-[(4-chlorophenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-tert-butyl-6-[(4-chlorophenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxamide is CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc2[nH]cc(C(=O)NC(C)(C)C)c(=O)c2c1.
What is the InChIKey of N-tert-butyl-6-[(4-chlorophenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is ONWXZBKFJIOTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O4S/c1-21(2,3)24-20(27)17-12-23-18-10-9-15(11-16(18)19(17)26)30(28,29)25(4)14-7-5-13(22)6-8-14/h5-12H,1-4H3,(H,23,26)(H,24,27).
What are the key properties of N-tert-butyl-6-[(4-chlorophenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxamide?
N-tert-butyl-6-[(4-chlorophenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 447.94 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-[(4-chlorophenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 4615282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).