N,3,4-trimethyl-N-(pyridin-3-ylmethyl)-5-sulfamoylbenzamide

C16H19N3O3S — CID 39791197

IUPACN,3,4-trimethyl-N-(pyridin-3-ylmethyl)-5-sulfamoylbenzamide
SMILESCc1cc(C(=O)N(C)Cc2cccnc2)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C16H19N3O3S/c1-11-7-14(8-15(12(11)2)23(17,21)22)16(20)19(3)10-13-5-4-6-18-9-13/h4-9H,10H2,1-3H3,(H2,17,21,22)
InChIKeyOPLUJEUQGCSHRX-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.62
Rot. Bonds4

About N,3,4-trimethyl-N-(pyridin-3-ylmethyl)-5-sulfamoylbenzamide

N,3,4-trimethyl-N-(pyridin-3-ylmethyl)-5-sulfamoylbenzamide (PubChem CID 39791197) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is N,3,4-trimethyl-N-(pyridin-3-ylmethyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN,3,4-trimethyl-N-(pyridin-3-ylmethyl)-5-sulfamoylbenzamide
PubChem CID39791197
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC NameN,3,4-trimethyl-N-(pyridin-3-ylmethyl)-5-sulfamoylbenzamide
SMILESCc1cc(C(=O)N(C)Cc2cccnc2)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C16H19N3O3S/c1-11-7-14(8-15(12(11)2)23(17,21)22)16(20)19(3)10-13-5-4-6-18-9-13/h4-9H,10H2,1-3H3,(H2,17,21,22)
InChIKeyOPLUJEUQGCSHRX-UHFFFAOYSA-N
XLogP1.62
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 78770854
3,5-dihydroxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 103891587
3,5-dimethoxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 6734292
4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 86932717
3-chloro-4-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 103734687
3,4-dimethyl-5-(pyridin-3-ylmethylsulfonyl)benzoic acid
CID 43323278
N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
CID 86976183
4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 43397555
2-(hydroxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 115116120
5-bromo-N,4-dimethyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 79954703
4-(methoxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 86977207
6-bromo-N-methyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 66463472

Frequently Asked Questions

What is the IUPAC name of N,3,4-trimethyl-N-(pyridin-3-ylmethyl)-5-sulfamoylbenzamide?
The IUPAC name of N,3,4-trimethyl-N-(pyridin-3-ylmethyl)-5-sulfamoylbenzamide (CID 39791197) is N,3,4-trimethyl-N-(pyridin-3-ylmethyl)-5-sulfamoylbenzamide.
What is the SMILES notation for N,3,4-trimethyl-N-(pyridin-3-ylmethyl)-5-sulfamoylbenzamide?
The canonical SMILES for N,3,4-trimethyl-N-(pyridin-3-ylmethyl)-5-sulfamoylbenzamide is Cc1cc(C(=O)N(C)Cc2cccnc2)cc(S(N)(=O)=O)c1C.
What is the InChIKey of N,3,4-trimethyl-N-(pyridin-3-ylmethyl)-5-sulfamoylbenzamide?
The InChIKey is OPLUJEUQGCSHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-11-7-14(8-15(12(11)2)23(17,21)22)16(20)19(3)10-13-5-4-6-18-9-13/h4-9H,10H2,1-3H3,(H2,17,21,22).
What are the key properties of N,3,4-trimethyl-N-(pyridin-3-ylmethyl)-5-sulfamoylbenzamide?
N,3,4-trimethyl-N-(pyridin-3-ylmethyl)-5-sulfamoylbenzamide has a molecular weight of 333.41 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,4-trimethyl-N-(pyridin-3-ylmethyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 39791197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).