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

C25H26ClN3O6S2 — CID 43882527

IUPACN-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1
InChIInChI=1S/C25H26ClN3O6S2/c1-17-6-9-21(37(33,34)29-12-14-35-15-13-29)16-22(17)25(30)27-19-7-10-20(11-8-19)36(31,32)28-24-5-3-4-23(26)18(24)2/h3-11,16,28H,12-15H2,1-2H3,(H,27,30)
InChIKeyQGQOVONTQCFJJO-UHFFFAOYSA-N
MW564.09 g/mol
LogP4.03
Rot. Bonds7

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

N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 43882527) has the molecular formula C25H26ClN3O6S2 and a molecular weight of 564.09 g/mol. Its IUPAC name is N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
PubChem CID43882527
Molecular FormulaC25H26ClN3O6S2
Molecular Weight564.09 g/mol
Exact Mass563.10
IUPAC NameN-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1
InChIInChI=1S/C25H26ClN3O6S2/c1-17-6-9-21(37(33,34)29-12-14-35-15-13-29)16-22(17)25(30)27-19-7-10-20(11-8-19)36(31,32)28-24-5-3-4-23(26)18(24)2/h3-11,16,28H,12-15H2,1-2H3,(H,27,30)
InChIKeyQGQOVONTQCFJJO-UHFFFAOYSA-N
XLogP4.03
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.09
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 43882681
N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 43882515
2-chloro-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-5-morpholin-4-ylsulfonylbenzamide
CID 43882607
2-methyl-5-morpholin-4-ylsulfonyl-N-(4-phenylphenyl)benzamide
CID 2676901
2-methyl-N-(4-morpholin-4-ylphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 2111262
N-(2-acetylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 8749628
2-methyl-5-morpholin-4-ylsulfonyl-N-pyridin-4-ylbenzamide
CID 25162643
2-methyl-3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzamide
CID 34584461
3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid
CID 23761201
2-methyl-5-morpholin-4-ylsulfonyl-N-(4-nitrophenyl)benzamide
CID 9395287
2-chloro-5-morpholin-4-ylsulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 99942897
2-chloro-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-5-morpholin-4-ylsulfonylbenzamide
CID 43882611

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide (CID 43882527) is N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1.
What is the InChIKey of N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is QGQOVONTQCFJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O6S2/c1-17-6-9-21(37(33,34)29-12-14-35-15-13-29)16-22(17)25(30)27-19-7-10-20(11-8-19)36(31,32)28-24-5-3-4-23(26)18(24)2/h3-11,16,28H,12-15H2,1-2H3,(H,27,30).
What are the key properties of N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 564.09 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 43882527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).