2,5-dimethyl-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzenesulfonamide

C16H21N3O4S2 — CID 110345197

IUPAC2,5-dimethyl-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCS(=O)(=O)NCc2cccnc2)c1
InChIInChI=1S/C16H21N3O4S2/c1-13-5-6-14(2)16(10-13)25(22,23)18-8-9-24(20,21)19-12-15-4-3-7-17-11-15/h3-7,10-11,18-19H,8-9,12H2,1-2H3
InChIKeyGSWFMKWVLIEWMA-UHFFFAOYSA-N
MW383.50 g/mol
LogP1.10
Rot. Bonds8

About 2,5-dimethyl-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzenesulfonamide

2,5-dimethyl-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzenesulfonamide (PubChem CID 110345197) has the molecular formula C16H21N3O4S2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzenesulfonamide
PubChem CID110345197
Molecular FormulaC16H21N3O4S2
Molecular Weight383.50 g/mol
Exact Mass383.10
IUPAC Name2,5-dimethyl-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCS(=O)(=O)NCc2cccnc2)c1
InChIInChI=1S/C16H21N3O4S2/c1-13-5-6-14(2)16(10-13)25(22,23)18-8-9-24(20,21)19-12-15-4-3-7-17-11-15/h3-7,10-11,18-19H,8-9,12H2,1-2H3
InChIKeyGSWFMKWVLIEWMA-UHFFFAOYSA-N
XLogP1.10
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(propan-2-ylamino)-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 54973657
5-amino-2,4-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 59436024
2-bromo-4-methyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 37265711
3-[4-methyl-3-(pyridin-3-ylmethylsulfamoyl)phenyl]prop-2-enoic acid
CID 940353
2-[(2,5-dimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 29238976
7-methyl-N-(pyridin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110758904
2-methyl-N-(pyridin-3-ylmethyl)-5-(4-sulfanylidene-3H-phthalazin-1-yl)benzenesulfonamide
CID 1307535
5-ethoxy-2,4-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 977109
4-methyl-N-(2-methylphenyl)-3-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 6462073
3-(propylamino)-N-(pyridin-3-ylmethyl)propane-1-sulfonamide
CID 106030719
N-benzyl-2-methyl-5-[(pyridine-3-carbonylamino)carbamoyl]benzenesulfonamide
CID 35016747
methyl 4-methyl-3-(2-pyridin-3-ylethylsulfamoyl)benzoate
CID 37265699

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzenesulfonamide (CID 110345197) is 2,5-dimethyl-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NCCS(=O)(=O)NCc2cccnc2)c1.
What is the InChIKey of 2,5-dimethyl-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzenesulfonamide?
The InChIKey is GSWFMKWVLIEWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S2/c1-13-5-6-14(2)16(10-13)25(22,23)18-8-9-24(20,21)19-12-15-4-3-7-17-11-15/h3-7,10-11,18-19H,8-9,12H2,1-2H3.
What are the key properties of 2,5-dimethyl-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzenesulfonamide?
2,5-dimethyl-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzenesulfonamide has a molecular weight of 383.50 g/mol, XLogP of 1.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110345197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).