2-chloro-5-[4-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-N-(2-morpholin-4-ylphenyl)benzenesulfonamide

C28H26Cl3N3O4S — CID 167761676

IUPAC2-chloro-5-[4-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-N-(2-morpholin-4-ylphenyl)benzenesulfonamide
SMILESO=C(c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2N2CCOCC2)c1)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C28H26Cl3N3O4S/c29-22-7-5-20(17-24(22)31)19-9-11-34(12-10-19)28(35)21-6-8-23(30)27(18-21)39(36,37)32-25-3-1-2-4-26(25)33-13-15-38-16-14-33/h1-9,17-18,32H,10-16H2
InChIKeySWHBBRNQOGVVAE-UHFFFAOYSA-N
MW606.96 g/mol
LogP6.21
Rot. Bonds6

About 2-chloro-5-[4-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-N-(2-morpholin-4-ylphenyl)benzenesulfonamide

2-chloro-5-[4-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-N-(2-morpholin-4-ylphenyl)benzenesulfonamide (PubChem CID 167761676) has the molecular formula C28H26Cl3N3O4S and a molecular weight of 606.96 g/mol. Its IUPAC name is 2-chloro-5-[4-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-N-(2-morpholin-4-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-[4-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-N-(2-morpholin-4-ylphenyl)benzenesulfonamide
PubChem CID167761676
Molecular FormulaC28H26Cl3N3O4S
Molecular Weight606.96 g/mol
Exact Mass605.07
IUPAC Name2-chloro-5-[4-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-N-(2-morpholin-4-ylphenyl)benzenesulfonamide
SMILESO=C(c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2N2CCOCC2)c1)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C28H26Cl3N3O4S/c29-22-7-5-20(17-24(22)31)19-9-11-34(12-10-19)28(35)21-6-8-23(30)27(18-21)39(36,37)32-25-3-1-2-4-26(25)33-13-15-38-16-14-33/h1-9,17-18,32H,10-16H2
InChIKeySWHBBRNQOGVVAE-UHFFFAOYSA-N
XLogP6.21
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.96
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3,4-dichlorophenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 2568947
2-chloro-5-[4-(2,5-dichlorophenyl)-2-methylpiperazine-1-carbonyl]-N-(2-morpholin-4-ylphenyl)benzenesulfonamide
CID 166347667
2-chloro-N-(2,3-dimethylphenyl)-5-(morpholine-4-carbonyl)benzenesulfonamide
CID 1289241
[3-(azepan-1-ylsulfonyl)-4-chlorophenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 26877544
(4-cyanophenyl)methyl 4-chloro-3-[(2-morpholin-4-ylphenyl)sulfamoyl]benzoate
CID 25041739
[2-(1-benzofuran-2-yl)-2-oxoethyl] 4-chloro-3-[(2-morpholin-4-ylphenyl)sulfamoyl]benzoate
CID 25044346
3,4-dimethyl-5-[(2-morpholin-4-ylphenyl)sulfamoyl]benzoic acid
CID 4806596
2-chloro-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]benzenesulfonamide
CID 2355911
2-chloro-5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 3449312
5-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-2-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 112803139
2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 4173516
3-(azepan-1-ylsulfonyl)-4-chloro-N-[5-[(2-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]benzamide
CID 4691182

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[4-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-N-(2-morpholin-4-ylphenyl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-[4-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-N-(2-morpholin-4-ylphenyl)benzenesulfonamide (CID 167761676) is 2-chloro-5-[4-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-N-(2-morpholin-4-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-[4-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-N-(2-morpholin-4-ylphenyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-[4-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-N-(2-morpholin-4-ylphenyl)benzenesulfonamide is O=C(c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2N2CCOCC2)c1)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 2-chloro-5-[4-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-N-(2-morpholin-4-ylphenyl)benzenesulfonamide?
The InChIKey is SWHBBRNQOGVVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26Cl3N3O4S/c29-22-7-5-20(17-24(22)31)19-9-11-34(12-10-19)28(35)21-6-8-23(30)27(18-21)39(36,37)32-25-3-1-2-4-26(25)33-13-15-38-16-14-33/h1-9,17-18,32H,10-16H2.
What are the key properties of 2-chloro-5-[4-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-N-(2-morpholin-4-ylphenyl)benzenesulfonamide?
2-chloro-5-[4-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-N-(2-morpholin-4-ylphenyl)benzenesulfonamide has a molecular weight of 606.96 g/mol, XLogP of 6.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[4-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-N-(2-morpholin-4-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 167761676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).