N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide

C19H22ClN3O3S — CID 3954949

IUPACN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
SMILESCN(C)S(=O)(=O)c1cc(NC(=O)CN2CCCc3ccccc32)ccc1Cl
InChIInChI=1S/C19H22ClN3O3S/c1-22(2)27(25,26)18-12-15(9-10-16(18)20)21-19(24)13-23-11-5-7-14-6-3-4-8-17(14)23/h3-4,6,8-10,12H,5,7,11,13H2,1-2H3,(H,21,24)
InChIKeyBDJBHNGGTWYMIV-UHFFFAOYSA-N
MW407.92 g/mol
LogP2.98
Rot. Bonds5

About N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide

N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide (PubChem CID 3954949) has the molecular formula C19H22ClN3O3S and a molecular weight of 407.92 g/mol. Its IUPAC name is N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
PubChem CID3954949
Molecular FormulaC19H22ClN3O3S
Molecular Weight407.92 g/mol
Exact Mass407.11
IUPAC NameN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
SMILESCN(C)S(=O)(=O)c1cc(NC(=O)CN2CCCc3ccccc32)ccc1Cl
InChIInChI=1S/C19H22ClN3O3S/c1-22(2)27(25,26)18-12-15(9-10-16(18)20)21-19(24)13-23-11-5-7-14-6-3-4-8-17(14)23/h3-4,6,8-10,12H,5,7,11,13H2,1-2H3,(H,21,24)
InChIKeyBDJBHNGGTWYMIV-UHFFFAOYSA-N
XLogP2.98
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.92
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide
CID 56666779
2-(4-chloroanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 164614642
N-(3-chloro-2-methylphenyl)-2-(N-(4-chlorophenyl)phenylsulfonamido)acetamide
CID 1153925
2-[(2-Chloro-benzenesulfonyl)-p-tolyl-amino]-N,N-diethyl-acetamide
CID 44581170
N-(4-chlorophenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 129274479
(2S)-N-(3-chlorophenyl)-1-ethylsulfonyl-3,4-dihydro-2H-quinoline-2-carboxamide
CID 60210911
N-[2-Chloro-4-(toluene-4-sulfonylamino)-phenyl]-2-piperidin-1-yl-acetamide
CID 1147316
N-(2,4-Dichlorophenyl)-2-[N-(2-methylphenyl)4-methylbenzenesulfonamido]acetamide
CID 1248751
N-(4-chlorobenzyl)-N~2~-(2-ethylphenyl)-N~2~-[(4-methylphenyl)sulfonyl]glycinamide
CID 1283333
N-(3-chloro-2-methylphenyl)-2-(N-p-tolylphenylsulfonamido)acetamide
CID 1368921
N~2~-[(4-chlorophenyl)sulfonyl]-N~2~-methyl-N~1~-(5,6,7,8-tetrahydro-1-naphthalenyl)glycinamide
CID 2215872
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2697728

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide?
The IUPAC name of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide (CID 3954949) is N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide.
What is the SMILES notation for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide?
The canonical SMILES for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide is CN(C)S(=O)(=O)c1cc(NC(=O)CN2CCCc3ccccc32)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide?
The InChIKey is BDJBHNGGTWYMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3S/c1-22(2)27(25,26)18-12-15(9-10-16(18)20)21-19(24)13-23-11-5-7-14-6-3-4-8-17(14)23/h3-4,6,8-10,12H,5,7,11,13H2,1-2H3,(H,21,24).
What are the key properties of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide?
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide has a molecular weight of 407.92 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide is sourced from PubChem (CID 3954949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).