4-chloro-N-(3-chloro-4-methylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide

C18H18Cl2N2O4S — CID 27258307

IUPAC4-chloro-N-(3-chloro-4-methylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N3CCOCC3)c2)cc1Cl
InChIInChI=1S/C18H18Cl2N2O4S/c1-12-2-3-13(10-17(12)20)21-27(24,25)14-4-5-16(19)15(11-14)18(23)22-6-8-26-9-7-22/h2-5,10-11,21H,6-9H2,1H3
InChIKeySJFNPYFPCAMKFC-UHFFFAOYSA-N
MW429.33 g/mol
LogP3.58
Rot. Bonds4

About 4-chloro-N-(3-chloro-4-methylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide

4-chloro-N-(3-chloro-4-methylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide (PubChem CID 27258307) has the molecular formula C18H18Cl2N2O4S and a molecular weight of 429.33 g/mol. Its IUPAC name is 4-chloro-N-(3-chloro-4-methylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(3-chloro-4-methylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
PubChem CID27258307
Molecular FormulaC18H18Cl2N2O4S
Molecular Weight429.33 g/mol
Exact Mass428.04
IUPAC Name4-chloro-N-(3-chloro-4-methylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N3CCOCC3)c2)cc1Cl
InChIInChI=1S/C18H18Cl2N2O4S/c1-12-2-3-13(10-17(12)20)21-27(24,25)14-4-5-16(19)15(11-14)18(23)22-6-8-26-9-7-22/h2-5,10-11,21H,6-9H2,1H3
InChIKeySJFNPYFPCAMKFC-UHFFFAOYSA-N
XLogP3.58
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.33
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]-N-cyclopropylpiperidine-4-carboxamide
CID 55954056
N-(3-chloro-4-fluorophenyl)-4-(morpholine-4-carbonyl)benzenesulfonamide
CID 39825155
N-(3,4-dimethylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 110677166
4-chloro-N-(3-chloro-4-methylphenyl)-3-methylbenzenesulfonamide
CID 16644802
3-(azepane-1-carbonyl)-4-chloro-N-(4-fluorophenyl)benzenesulfonamide
CID 31619015
4-chloro-3-(2-methylmorpholine-4-carbonyl)-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 24575619
4-fluoro-3-methyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 26583543
N-(3-chloro-4-methylphenyl)-3-(3-morpholin-4-yl-3-oxopropyl)-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 53081110
N-[4-chloro-3-(4-ethylpiperazine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 92673000
3-(4-acetylpiperazine-1-carbonyl)-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 42992454
N-[4-chloro-3-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 46771316
methyl 2-bromo-5-[(3-chloro-4-methylphenyl)sulfamoyl]benzoate
CID 55925238

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-chloro-4-methylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(3-chloro-4-methylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide (CID 27258307) is 4-chloro-N-(3-chloro-4-methylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(3-chloro-4-methylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(3-chloro-4-methylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N3CCOCC3)c2)cc1Cl.
What is the InChIKey of 4-chloro-N-(3-chloro-4-methylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide?
The InChIKey is SJFNPYFPCAMKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O4S/c1-12-2-3-13(10-17(12)20)21-27(24,25)14-4-5-16(19)15(11-14)18(23)22-6-8-26-9-7-22/h2-5,10-11,21H,6-9H2,1H3.
What are the key properties of 4-chloro-N-(3-chloro-4-methylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide?
4-chloro-N-(3-chloro-4-methylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide has a molecular weight of 429.33 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-chloro-4-methylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide is sourced from PubChem (CID 27258307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).