4-chloro-3-(dimethylsulfamoyl)-N-(3-morpholin-4-ylsulfonylphenyl)benzamide

C19H22ClN3O6S2 — CID 26590050

IUPAC4-chloro-3-(dimethylsulfamoyl)-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)ccc1Cl
InChIInChI=1S/C19H22ClN3O6S2/c1-22(2)31(27,28)18-12-14(6-7-17(18)20)19(24)21-15-4-3-5-16(13-15)30(25,26)23-8-10-29-11-9-23/h3-7,12-13H,8-11H2,1-2H3,(H,21,24)
InChIKeyRHMGAPSIDVFCSE-UHFFFAOYSA-N
MW487.99 g/mol
LogP1.86
Rot. Bonds6

About 4-chloro-3-(dimethylsulfamoyl)-N-(3-morpholin-4-ylsulfonylphenyl)benzamide

4-chloro-3-(dimethylsulfamoyl)-N-(3-morpholin-4-ylsulfonylphenyl)benzamide (PubChem CID 26590050) has the molecular formula C19H22ClN3O6S2 and a molecular weight of 487.99 g/mol. Its IUPAC name is 4-chloro-3-(dimethylsulfamoyl)-N-(3-morpholin-4-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-(dimethylsulfamoyl)-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
PubChem CID26590050
Molecular FormulaC19H22ClN3O6S2
Molecular Weight487.99 g/mol
Exact Mass487.06
IUPAC Name4-chloro-3-(dimethylsulfamoyl)-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)ccc1Cl
InChIInChI=1S/C19H22ClN3O6S2/c1-22(2)31(27,28)18-12-14(6-7-17(18)20)19(24)21-15-4-3-5-16(13-15)30(25,26)23-8-10-29-11-9-23/h3-7,12-13H,8-11H2,1-2H3,(H,21,24)
InChIKeyRHMGAPSIDVFCSE-UHFFFAOYSA-N
XLogP1.86
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.99
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-3-(dimethylsulfamoyl)-N-(3-piperidin-1-ylsulfonylphenyl)benzamide
CID 26251939
4-chloro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 7759044
4-chloro-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1379071
3,5-dichloro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4800329
N-(3-morpholin-4-ylsulfonylphenyl)-4-propan-2-ylbenzamide
CID 7759072
4-chloro-N-(3-cyanophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 4849756
3,5-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4799420
4-methoxy-3-morpholin-4-ylsulfonyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 5058872
4-chloro-3-(dimethylsulfamoyl)-N-(3-methylphenyl)benzamide
CID 26537805
3-iodo-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 42991896
N-(3-morpholin-4-ylsulfonylphenyl)-4-propan-2-yloxybenzamide
CID 7759035
4-chloro-3-morpholin-4-ylsulfonyl-N-(3-nitrophenyl)benzamide
CID 1121791

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(dimethylsulfamoyl)-N-(3-morpholin-4-ylsulfonylphenyl)benzamide?
The IUPAC name of 4-chloro-3-(dimethylsulfamoyl)-N-(3-morpholin-4-ylsulfonylphenyl)benzamide (CID 26590050) is 4-chloro-3-(dimethylsulfamoyl)-N-(3-morpholin-4-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 4-chloro-3-(dimethylsulfamoyl)-N-(3-morpholin-4-ylsulfonylphenyl)benzamide?
The canonical SMILES for 4-chloro-3-(dimethylsulfamoyl)-N-(3-morpholin-4-ylsulfonylphenyl)benzamide is CN(C)S(=O)(=O)c1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)ccc1Cl.
What is the InChIKey of 4-chloro-3-(dimethylsulfamoyl)-N-(3-morpholin-4-ylsulfonylphenyl)benzamide?
The InChIKey is RHMGAPSIDVFCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O6S2/c1-22(2)31(27,28)18-12-14(6-7-17(18)20)19(24)21-15-4-3-5-16(13-15)30(25,26)23-8-10-29-11-9-23/h3-7,12-13H,8-11H2,1-2H3,(H,21,24).
What are the key properties of 4-chloro-3-(dimethylsulfamoyl)-N-(3-morpholin-4-ylsulfonylphenyl)benzamide?
4-chloro-3-(dimethylsulfamoyl)-N-(3-morpholin-4-ylsulfonylphenyl)benzamide has a molecular weight of 487.99 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(dimethylsulfamoyl)-N-(3-morpholin-4-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 26590050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).