methyl 4-methyl-3-(2-pyridin-3-ylethylsulfamoyl)benzoate

C16H18N2O4S — CID 37265699

IUPACmethyl 4-methyl-3-(2-pyridin-3-ylethylsulfamoyl)benzoate
SMILESCOC(=O)c1ccc(C)c(S(=O)(=O)NCCc2cccnc2)c1
InChIInChI=1S/C16H18N2O4S/c1-12-5-6-14(16(19)22-2)10-15(12)23(20,21)18-9-7-13-4-3-8-17-11-13/h3-6,8,10-11,18H,7,9H2,1-2H3
InChIKeyNAIMNIMWKCWIRR-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.70
Rot. Bonds6

About methyl 4-methyl-3-(2-pyridin-3-ylethylsulfamoyl)benzoate

methyl 4-methyl-3-(2-pyridin-3-ylethylsulfamoyl)benzoate (PubChem CID 37265699) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is methyl 4-methyl-3-(2-pyridin-3-ylethylsulfamoyl)benzoate.

Molecular Properties

Compound Namemethyl 4-methyl-3-(2-pyridin-3-ylethylsulfamoyl)benzoate
PubChem CID37265699
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Namemethyl 4-methyl-3-(2-pyridin-3-ylethylsulfamoyl)benzoate
SMILESCOC(=O)c1ccc(C)c(S(=O)(=O)NCCc2cccnc2)c1
InChIInChI=1S/C16H18N2O4S/c1-12-5-6-14(16(19)22-2)10-15(12)23(20,21)18-9-7-13-4-3-8-17-11-13/h3-6,8,10-11,18H,7,9H2,1-2H3
InChIKeyNAIMNIMWKCWIRR-UHFFFAOYSA-N
XLogP1.70
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dibromo-4-methyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 80712268
5-methyl-4-(2-pyridin-3-ylethylsulfamoyl)furan-2-carboxylic acid
CID 62804149
methyl 3-[2-(aziridin-1-yl)ethylsulfamoyl]-4-methylbenzoate
CID 170563671
4-acetyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 60729005
methyl 4-(2-pyridin-3-ylethyl)benzoate
CID 19419104
2-hydroxy-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 81241998
2,3,4,5,6-pentamethyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 3838924
4-methyl-N-(2-methylphenyl)-3-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 6462073
2-bromo-4-methyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 37265711
methyl 4-methyl-3-(pyridin-3-ylsulfonylamino)benzoate
CID 25038996
N-benzyl-2-methyl-5-[(pyridine-3-carbonylamino)carbamoyl]benzenesulfonamide
CID 35016747
methyl 3-[2-(2-methoxyethylamino)ethylsulfamoyl]-4-methylbenzoate
CID 120717524

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-(2-pyridin-3-ylethylsulfamoyl)benzoate?
The IUPAC name of methyl 4-methyl-3-(2-pyridin-3-ylethylsulfamoyl)benzoate (CID 37265699) is methyl 4-methyl-3-(2-pyridin-3-ylethylsulfamoyl)benzoate.
What is the SMILES notation for methyl 4-methyl-3-(2-pyridin-3-ylethylsulfamoyl)benzoate?
The canonical SMILES for methyl 4-methyl-3-(2-pyridin-3-ylethylsulfamoyl)benzoate is COC(=O)c1ccc(C)c(S(=O)(=O)NCCc2cccnc2)c1.
What is the InChIKey of methyl 4-methyl-3-(2-pyridin-3-ylethylsulfamoyl)benzoate?
The InChIKey is NAIMNIMWKCWIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-12-5-6-14(16(19)22-2)10-15(12)23(20,21)18-9-7-13-4-3-8-17-11-13/h3-6,8,10-11,18H,7,9H2,1-2H3.
What are the key properties of methyl 4-methyl-3-(2-pyridin-3-ylethylsulfamoyl)benzoate?
methyl 4-methyl-3-(2-pyridin-3-ylethylsulfamoyl)benzoate has a molecular weight of 334.40 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-(2-pyridin-3-ylethylsulfamoyl)benzoate is sourced from PubChem (CID 37265699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).