N-(5-chloro-2-pyridinyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide

C16H18ClN3O3S — CID 34136281

IUPACN-(5-chloro-2-pyridinyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
SMILESCc1cc(C(=O)Nc2ccc(Cl)cn2)cc(S(=O)(=O)N(C)C)c1C
InChIInChI=1S/C16H18ClN3O3S/c1-10-7-12(8-14(11(10)2)24(22,23)20(3)4)16(21)19-15-6-5-13(17)9-18-15/h5-9H,1-4H3,(H,18,19,21)
InChIKeyBMEDPHFRHMKVKK-UHFFFAOYSA-N
MW367.86 g/mol
LogP2.85
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide

N-(5-chloro-2-pyridinyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide (PubChem CID 34136281) has the molecular formula C16H18ClN3O3S and a molecular weight of 367.86 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
PubChem CID34136281
Molecular FormulaC16H18ClN3O3S
Molecular Weight367.86 g/mol
Exact Mass367.08
IUPAC NameN-(5-chloro-2-pyridinyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
SMILESCc1cc(C(=O)Nc2ccc(Cl)cn2)cc(S(=O)(=O)N(C)C)c1C
InChIInChI=1S/C16H18ClN3O3S/c1-10-7-12(8-14(11(10)2)24(22,23)20(3)4)16(21)19-15-6-5-13(17)9-18-15/h5-9H,1-4H3,(H,18,19,21)
InChIKeyBMEDPHFRHMKVKK-UHFFFAOYSA-N
XLogP2.85
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.86
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-methylphenyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 26701236
3-(dimethylsulfamoyl)-4,5-dimethyl-N-(1-methylpyrazol-3-yl)benzamide
CID 51237996
3-(dimethylsulfamoyl)-4,5-dimethyl-N-(2,3,4-trifluorophenyl)benzamide
CID 30272949
N-(5-chloro-2-pyridinyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1217132
N-(5-chloro-2-pyridinyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 1102150
N-(5-acetamido-2-chlorophenyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 55917241
3-(dimethylsulfamoyl)-4,5-dimethyl-N-(4-methylsulfanylphenyl)benzamide
CID 42370271
N-(5-chloro-2-pyridinyl)-3-methyl-4-(propylamino)benzamide
CID 63210683
N-(5-chloro-2-pyridinyl)-3-methoxy-4-methylbenzamide
CID 47122719
N-(5-chloro-2-pyridinyl)-3,4,5-trimethoxybenzamide
CID 673854
N-(5-chloro-2-pyridinyl)-4-(ethylamino)-3,5-difluorobenzamide
CID 63187369
N-(5-chloro-2-pyridinyl)-2-methylbenzamide
CID 758009

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide (CID 34136281) is N-(5-chloro-2-pyridinyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide is Cc1cc(C(=O)Nc2ccc(Cl)cn2)cc(S(=O)(=O)N(C)C)c1C.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide?
The InChIKey is BMEDPHFRHMKVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3S/c1-10-7-12(8-14(11(10)2)24(22,23)20(3)4)16(21)19-15-6-5-13(17)9-18-15/h5-9H,1-4H3,(H,18,19,21).
What are the key properties of N-(5-chloro-2-pyridinyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide?
N-(5-chloro-2-pyridinyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide has a molecular weight of 367.86 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide is sourced from PubChem (CID 34136281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).