3-[(3-ethyl-2-pyridinyl)methylsulfamoyl]-5-methylbenzamide

C16H19N3O3S — CID 167795356

IUPAC3-[(3-ethyl-2-pyridinyl)methylsulfamoyl]-5-methylbenzamide
SMILESCCc1cccnc1CNS(=O)(=O)c1cc(C)cc(C(N)=O)c1
InChIInChI=1S/C16H19N3O3S/c1-3-12-5-4-6-18-15(12)10-19-23(21,22)14-8-11(2)7-13(9-14)16(17)20/h4-9,19H,3,10H2,1-2H3,(H2,17,20)
InChIKeyDHIDJCQFHNSGHO-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.53
Rot. Bonds6

About 3-[(3-ethyl-2-pyridinyl)methylsulfamoyl]-5-methylbenzamide

3-[(3-ethyl-2-pyridinyl)methylsulfamoyl]-5-methylbenzamide (PubChem CID 167795356) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 3-[(3-ethyl-2-pyridinyl)methylsulfamoyl]-5-methylbenzamide.

Molecular Properties

Compound Name3-[(3-ethyl-2-pyridinyl)methylsulfamoyl]-5-methylbenzamide
PubChem CID167795356
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name3-[(3-ethyl-2-pyridinyl)methylsulfamoyl]-5-methylbenzamide
SMILESCCc1cccnc1CNS(=O)(=O)c1cc(C)cc(C(N)=O)c1
InChIInChI=1S/C16H19N3O3S/c1-3-12-5-4-6-18-15(12)10-19-23(21,22)14-8-11(2)7-13(9-14)16(17)20/h4-9,19H,3,10H2,1-2H3,(H2,17,20)
InChIKeyDHIDJCQFHNSGHO-UHFFFAOYSA-N
XLogP1.53
TPSA102.15 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 ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-ethyl-2-pyridinyl)methyl]-6-hydrazinylpyridine-3-sulfonamide
CID 82736468
3-methyl-5-[2-(2-methyl-3-pyridinyl)ethylsulfamoyl]benzoic acid
CID 166258388
5-[(3-ethyl-2-pyridinyl)methylsulfamoyl]thiophene-3-carboxylic acid
CID 82732518
N-[(3-ethyl-2-pyridinyl)methyl]-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106076088
3-[[(3-ethyl-2-pyridinyl)methylamino]methyl]-4-fluorobenzamide
CID 82736523
3-amino-N-[(2-ethylphenyl)methyl]-5-methylbenzenesulfonamide
CID 64682575
1-(3,5-dimethylphenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82731760
4-[(3-ethyl-2-pyridinyl)methylsulfamoyl]butanoic acid
CID 82731751
4-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-2-fluorobenzenesulfonamide
CID 116528774
3-amino-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 104742770
2,3-diethylpyridine;bis(2,4,6-trimethylaniline)
CID 157436995
N-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethyl-1,2,4-triazin-3-amine
CID 114786832

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethyl-2-pyridinyl)methylsulfamoyl]-5-methylbenzamide?
The IUPAC name of 3-[(3-ethyl-2-pyridinyl)methylsulfamoyl]-5-methylbenzamide (CID 167795356) is 3-[(3-ethyl-2-pyridinyl)methylsulfamoyl]-5-methylbenzamide.
What is the SMILES notation for 3-[(3-ethyl-2-pyridinyl)methylsulfamoyl]-5-methylbenzamide?
The canonical SMILES for 3-[(3-ethyl-2-pyridinyl)methylsulfamoyl]-5-methylbenzamide is CCc1cccnc1CNS(=O)(=O)c1cc(C)cc(C(N)=O)c1.
What is the InChIKey of 3-[(3-ethyl-2-pyridinyl)methylsulfamoyl]-5-methylbenzamide?
The InChIKey is DHIDJCQFHNSGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-3-12-5-4-6-18-15(12)10-19-23(21,22)14-8-11(2)7-13(9-14)16(17)20/h4-9,19H,3,10H2,1-2H3,(H2,17,20).
What are the key properties of 3-[(3-ethyl-2-pyridinyl)methylsulfamoyl]-5-methylbenzamide?
3-[(3-ethyl-2-pyridinyl)methylsulfamoyl]-5-methylbenzamide has a molecular weight of 333.41 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethyl-2-pyridinyl)methylsulfamoyl]-5-methylbenzamide is sourced from PubChem (CID 167795356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).