N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-4-cyanobenzamide

C16H14ClN3O3S — CID 5218436

IUPACN-[2-chloro-5-(dimethylsulfamoyl)phenyl]-4-cyanobenzamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccc(C#N)cc2)c1
InChIInChI=1S/C16H14ClN3O3S/c1-20(2)24(22,23)13-7-8-14(17)15(9-13)19-16(21)12-5-3-11(10-18)4-6-12/h3-9H,1-2H3,(H,19,21)
InChIKeyXZOHRCMNEMTQPP-UHFFFAOYSA-N
MW363.83 g/mol
LogP2.71
Rot. Bonds4

About N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-4-cyanobenzamide

N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-4-cyanobenzamide (PubChem CID 5218436) has the molecular formula C16H14ClN3O3S and a molecular weight of 363.83 g/mol. Its IUPAC name is N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-4-cyanobenzamide.

Molecular Properties

Compound NameN-[2-chloro-5-(dimethylsulfamoyl)phenyl]-4-cyanobenzamide
PubChem CID5218436
Molecular FormulaC16H14ClN3O3S
Molecular Weight363.83 g/mol
Exact Mass363.04
IUPAC NameN-[2-chloro-5-(dimethylsulfamoyl)phenyl]-4-cyanobenzamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccc(C#N)cc2)c1
InChIInChI=1S/C16H14ClN3O3S/c1-20(2)24(22,23)13-7-8-14(17)15(9-13)19-16(21)12-5-3-11(10-18)4-6-12/h3-9H,1-2H3,(H,19,21)
InChIKeyXZOHRCMNEMTQPP-UHFFFAOYSA-N
XLogP2.71
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.83
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-fluorobenzamide
CID 4250932
4-cyano-N-[5-(diethylsulfamoyl)-2-methylphenyl]benzamide
CID 4810842
3-cyano-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 7750655
4-cyano-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 27419877
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 63047654
potassium 3-[(2-chloro-5-cyanophenyl)carbamoyl]benzenesulfonate
CID 20688348
2-chloro-N-(2-chlorophenyl)-5-(dimethylsulfamoyl)benzamide
CID 1310418
N-(5-chloro-2-fluorophenyl)-4-(dimethylsulfamoyl)benzamide
CID 2664664
3,4-dichloro-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]benzamide
CID 9050460
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-4-propan-2-ylsulfonylbenzamide
CID 55752915
2-chloro-N-(3-cyanophenyl)-5-(dimethylsulfamoyl)benzamide
CID 2707587
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-oxo-3-phenylpropanamide
CID 21339599

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-4-cyanobenzamide?
The IUPAC name of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-4-cyanobenzamide (CID 5218436) is N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-4-cyanobenzamide.
What is the SMILES notation for N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-4-cyanobenzamide?
The canonical SMILES for N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-4-cyanobenzamide is CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccc(C#N)cc2)c1.
What is the InChIKey of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-4-cyanobenzamide?
The InChIKey is XZOHRCMNEMTQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3S/c1-20(2)24(22,23)13-7-8-14(17)15(9-13)19-16(21)12-5-3-11(10-18)4-6-12/h3-9H,1-2H3,(H,19,21).
What are the key properties of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-4-cyanobenzamide?
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-4-cyanobenzamide has a molecular weight of 363.83 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-4-cyanobenzamide is sourced from PubChem (CID 5218436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).