2-chloro-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-5-morpholin-4-ylsulfonylbenzamide

C24H24ClN3O6S2 — CID 43882607

IUPAC2-chloro-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)cc2)c1
InChIInChI=1S/C24H24ClN3O6S2/c1-17-3-2-4-19(15-17)27-35(30,31)20-7-5-18(6-8-20)26-24(29)22-16-21(9-10-23(22)25)36(32,33)28-11-13-34-14-12-28/h2-10,15-16,27H,11-14H2,1H3,(H,26,29)
InChIKeyQZHOAIAEPQRFBD-UHFFFAOYSA-N
MW550.06 g/mol
LogP3.72
Rot. Bonds7

About 2-chloro-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-5-morpholin-4-ylsulfonylbenzamide

2-chloro-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 43882607) has the molecular formula C24H24ClN3O6S2 and a molecular weight of 550.06 g/mol. Its IUPAC name is 2-chloro-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-5-morpholin-4-ylsulfonylbenzamide
PubChem CID43882607
Molecular FormulaC24H24ClN3O6S2
Molecular Weight550.06 g/mol
Exact Mass549.08
IUPAC Name2-chloro-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)cc2)c1
InChIInChI=1S/C24H24ClN3O6S2/c1-17-3-2-4-19(15-17)27-35(30,31)20-7-5-18(6-8-20)26-24(29)22-16-21(9-10-23(22)25)36(32,33)28-11-13-34-14-12-28/h2-10,15-16,27H,11-14H2,1H3,(H,26,29)
InChIKeyQZHOAIAEPQRFBD-UHFFFAOYSA-N
XLogP3.72
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.06
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-(3-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 1119039
2-chloro-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-5-morpholin-4-ylsulfonylbenzamide
CID 43882611
2-chloro-N-(3-methylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 9341600
2-chloro-5-morpholin-4-ylsulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 99942897
2-hydroxy-N-(3-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 43853467
2-chloro-N-(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 1310313
N-[4-(carbamoylamino)phenyl]-2-chloro-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 33156080
N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 43882527
5-(azepan-1-ylsulfonyl)-2-chloro-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 43882630
5-(benzenesulfonamido)-2-chloro-N-(3-methylphenyl)benzamide
CID 99954577
N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 43882681
2-chloro-N-(3,5-dichlorophenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 26591526

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-5-morpholin-4-ylsulfonylbenzamide (CID 43882607) is 2-chloro-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-5-morpholin-4-ylsulfonylbenzamide is Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)cc2)c1.
What is the InChIKey of 2-chloro-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is QZHOAIAEPQRFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O6S2/c1-17-3-2-4-19(15-17)27-35(30,31)20-7-5-18(6-8-20)26-24(29)22-16-21(9-10-23(22)25)36(32,33)28-11-13-34-14-12-28/h2-10,15-16,27H,11-14H2,1H3,(H,26,29).
What are the key properties of 2-chloro-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-5-morpholin-4-ylsulfonylbenzamide?
2-chloro-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 550.06 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 43882607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).