N-propan-2-yl-4-(pyridin-3-ylmethylsulfamoyl)benzamide

C16H19N3O3S — CID 109058145

IUPACN-propan-2-yl-4-(pyridin-3-ylmethylsulfamoyl)benzamide
SMILESCC(C)NC(=O)c1ccc(S(=O)(=O)NCc2cccnc2)cc1
InChIInChI=1S/C16H19N3O3S/c1-12(2)19-16(20)14-5-7-15(8-6-14)23(21,22)18-11-13-4-3-9-17-10-13/h3-10,12,18H,11H2,1-2H3,(H,19,20)
InChIKeyKRKMWHIGLUEMIM-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.70
Rot. Bonds6

About N-propan-2-yl-4-(pyridin-3-ylmethylsulfamoyl)benzamide

N-propan-2-yl-4-(pyridin-3-ylmethylsulfamoyl)benzamide (PubChem CID 109058145) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-propan-2-yl-4-(pyridin-3-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-propan-2-yl-4-(pyridin-3-ylmethylsulfamoyl)benzamide
PubChem CID109058145
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC NameN-propan-2-yl-4-(pyridin-3-ylmethylsulfamoyl)benzamide
SMILESCC(C)NC(=O)c1ccc(S(=O)(=O)NCc2cccnc2)cc1
InChIInChI=1S/C16H19N3O3S/c1-12(2)19-16(20)14-5-7-15(8-6-14)23(21,22)18-11-13-4-3-9-17-10-13/h3-10,12,18H,11H2,1-2H3,(H,19,20)
InChIKeyKRKMWHIGLUEMIM-UHFFFAOYSA-N
XLogP1.70
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 1428458
N-(2-phenylethyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109060926
N,N-dipropyl-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109060934
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(2-pyridin-3-ylethyl)benzamide
CID 24672701
4-(ethylsulfamoyl)-N-(1-pyridin-3-ylethyl)benzamide
CID 51193149
4-(propan-2-ylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide
CID 36866769
N-ethyl-N-phenyl-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109060938
4-(furan-2-ylmethylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide
CID 24538489
N-(3-cyanophenyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109060943
ethyl 2-[4-(pyridin-3-ylmethylsulfamoyl)phenoxy]acetate
CID 1082995
4-(2-chloroethyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 28719352
4-(2-bromoethyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 23112086

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-(pyridin-3-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-propan-2-yl-4-(pyridin-3-ylmethylsulfamoyl)benzamide (CID 109058145) is N-propan-2-yl-4-(pyridin-3-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-propan-2-yl-4-(pyridin-3-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-propan-2-yl-4-(pyridin-3-ylmethylsulfamoyl)benzamide is CC(C)NC(=O)c1ccc(S(=O)(=O)NCc2cccnc2)cc1.
What is the InChIKey of N-propan-2-yl-4-(pyridin-3-ylmethylsulfamoyl)benzamide?
The InChIKey is KRKMWHIGLUEMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-12(2)19-16(20)14-5-7-15(8-6-14)23(21,22)18-11-13-4-3-9-17-10-13/h3-10,12,18H,11H2,1-2H3,(H,19,20).
What are the key properties of N-propan-2-yl-4-(pyridin-3-ylmethylsulfamoyl)benzamide?
N-propan-2-yl-4-(pyridin-3-ylmethylsulfamoyl)benzamide has a molecular weight of 333.41 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-(pyridin-3-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 109058145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).