2-chloro-5-(dimethylsulfamoyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide

C19H22ClN3O6S2 — CID 2085100

IUPAC2-chloro-5-(dimethylsulfamoyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C19H22ClN3O6S2/c1-22(2)30(25,26)16-7-8-18(20)17(13-16)19(24)21-14-3-5-15(6-4-14)31(27,28)23-9-11-29-12-10-23/h3-8,13H,9-12H2,1-2H3,(H,21,24)
InChIKeyKSEGFKRNPYQQRP-UHFFFAOYSA-N
MW487.99 g/mol
LogP1.86
Rot. Bonds6

About 2-chloro-5-(dimethylsulfamoyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide

2-chloro-5-(dimethylsulfamoyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide (PubChem CID 2085100) has the molecular formula C19H22ClN3O6S2 and a molecular weight of 487.99 g/mol. Its IUPAC name is 2-chloro-5-(dimethylsulfamoyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-(dimethylsulfamoyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
PubChem CID2085100
Molecular FormulaC19H22ClN3O6S2
Molecular Weight487.99 g/mol
Exact Mass487.06
IUPAC Name2-chloro-5-(dimethylsulfamoyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C19H22ClN3O6S2/c1-22(2)30(25,26)16-7-8-18(20)17(13-16)19(24)21-14-3-5-15(6-4-14)31(27,28)23-9-11-29-12-10-23/h3-8,13H,9-12H2,1-2H3,(H,21,24)
InChIKeyKSEGFKRNPYQQRP-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

2,4-Dichloro-N-phenyl-5-(1-piperidinylsulfonyl)benzamide
CID 1107106
2-(benzylamino)-4-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 126508531
N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 2811587
n-(3-Acetylphenyl)-4-chloro-3-(4-morpholinylsulfonyl)benzamide
CID 1101763
2-methyl-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 1010558
2-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-piperidin-1-ylsulfonylbenzamide
CID 2085005
2-chloro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4571173
4-(morpholin-4-ylmethyl)-N-[4-(piperidin-1-ylsulfonyl)phenyl]benzamide
CID 1138680
2,4-dichloro-N-(3-fluorophenyl)-5-(4-morpholinylsulfonyl)benzamide
CID 1356130
2,4-dichloro-N-(3,4-difluorophenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 2334818
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 3158002
3-(4-acetylpiperazine-1-carbonyl)-4-chloro-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 4829934

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(dimethylsulfamoyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide?
The IUPAC name of 2-chloro-5-(dimethylsulfamoyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide (CID 2085100) is 2-chloro-5-(dimethylsulfamoyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 2-chloro-5-(dimethylsulfamoyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide?
The canonical SMILES for 2-chloro-5-(dimethylsulfamoyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide is CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1.
What is the InChIKey of 2-chloro-5-(dimethylsulfamoyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide?
The InChIKey is KSEGFKRNPYQQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O6S2/c1-22(2)30(25,26)16-7-8-18(20)17(13-16)19(24)21-14-3-5-15(6-4-14)31(27,28)23-9-11-29-12-10-23/h3-8,13H,9-12H2,1-2H3,(H,21,24).
What are the key properties of 2-chloro-5-(dimethylsulfamoyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide?
2-chloro-5-(dimethylsulfamoyl)-N-(4-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 2-chloro-5-(dimethylsulfamoyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 2085100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).