N-[(2,4-difluorophenyl)methyl]-N-[4-[2-(1,2,4-triazol-1-yl)ethylsulfamoyl]phenyl]acetamide

C19H19F2N5O3S — CID 77106075

IUPACN-[(2,4-difluorophenyl)methyl]-N-[4-[2-(1,2,4-triazol-1-yl)ethylsulfamoyl]phenyl]acetamide
SMILESCC(=O)N(Cc1ccc(F)cc1F)c1ccc(S(=O)(=O)NCCn2cncn2)cc1
InChIInChI=1S/C19H19F2N5O3S/c1-14(27)26(11-15-2-3-16(20)10-19(15)21)17-4-6-18(7-5-17)30(28,29)24-8-9-25-13-22-12-23-25/h2-7,10,12-13,24H,8-9,11H2,1H3
InChIKeyDECQGERCVCNTKE-UHFFFAOYSA-N
MW435.46 g/mol
LogP2.09
Rot. Bonds8

About N-[(2,4-difluorophenyl)methyl]-N-[4-[2-(1,2,4-triazol-1-yl)ethylsulfamoyl]phenyl]acetamide

N-[(2,4-difluorophenyl)methyl]-N-[4-[2-(1,2,4-triazol-1-yl)ethylsulfamoyl]phenyl]acetamide (PubChem CID 77106075) has the molecular formula C19H19F2N5O3S and a molecular weight of 435.46 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-N-[4-[2-(1,2,4-triazol-1-yl)ethylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-N-[4-[2-(1,2,4-triazol-1-yl)ethylsulfamoyl]phenyl]acetamide
PubChem CID77106075
Molecular FormulaC19H19F2N5O3S
Molecular Weight435.46 g/mol
Exact Mass435.12
IUPAC NameN-[(2,4-difluorophenyl)methyl]-N-[4-[2-(1,2,4-triazol-1-yl)ethylsulfamoyl]phenyl]acetamide
SMILESCC(=O)N(Cc1ccc(F)cc1F)c1ccc(S(=O)(=O)NCCn2cncn2)cc1
InChIInChI=1S/C19H19F2N5O3S/c1-14(27)26(11-15-2-3-16(20)10-19(15)21)17-4-6-18(7-5-17)30(28,29)24-8-9-25-13-22-12-23-25/h2-7,10,12-13,24H,8-9,11H2,1H3
InChIKeyDECQGERCVCNTKE-UHFFFAOYSA-N
XLogP2.09
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2,4-difluorophenyl)methyl]-N-[4-[2-(1,2,4-triazol-1-yl)ethylsulfamoyl]phenyl]acetamide with MolForge

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Related Compounds

4-{[5-amino-1-(2,6-difluorobenzoyl)-1H-1,2,4-triazol-3-yl]amino}-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 5330807
2-(6-Methyl-2-oxo-3-phenylmethanesulfonylamino-2H-pyridin-1-yl)-N-(2-[1,2,4]triazol-1-yl-benzyl)-acetamide
CID 10141313
4-[[1-(2,6-Difluorobenzoyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide
CID 141143841
4-{[5-amino-1-(2,6-difluorobenzyl)-1H-1,2,4-triazol-3-yl]amino}benzenesulfonamide
CID 5330809
1-(4-Tetrazol-1-yl-benzenesulfonyl)-piperidine-3-carboxylic acid [1-(4-fluoro-phenyl)-ethyl]-amide
CID 3216013
1-(4-Tetrazol-1-yl-benzenesulfonyl)-piperidine-3-carboxylic acid 2-fluoro-benzylamide
CID 24792545
1-(4-Tetrazol-1-yl-benzenesulfonyl)-piperidine-3-carboxylic acid 4-fluoro-benzylamide
CID 3214819
4-Fluoro-N-{4-[(1H-1,2,4-triazol-1-YL)methyl]phenyl}benzene-1-sulfonamide
CID 17171321
2-Fluoro-N-{4-[(1H-1,2,4-triazol-1-YL)methyl]phenyl}benzene-1-sulfonamide
CID 39000599
3,4-Difluoro-N-{4-[(1H-1,2,4-triazol-1-YL)methyl]phenyl}benzene-1-sulfonamide
CID 39000611
3-Fluoro-N-{4-[(1H-1,2,4-triazol-1-YL)methyl]phenyl}benzene-1-sulfonamide
CID 39000623
2,4-difluoro-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}benzene-1-sulfonamide
CID 39000625

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-[4-[2-(1,2,4-triazol-1-yl)ethylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-[4-[2-(1,2,4-triazol-1-yl)ethylsulfamoyl]phenyl]acetamide (CID 77106075) is N-[(2,4-difluorophenyl)methyl]-N-[4-[2-(1,2,4-triazol-1-yl)ethylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-N-[4-[2-(1,2,4-triazol-1-yl)ethylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-N-[4-[2-(1,2,4-triazol-1-yl)ethylsulfamoyl]phenyl]acetamide is CC(=O)N(Cc1ccc(F)cc1F)c1ccc(S(=O)(=O)NCCn2cncn2)cc1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-N-[4-[2-(1,2,4-triazol-1-yl)ethylsulfamoyl]phenyl]acetamide?
The InChIKey is DECQGERCVCNTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5O3S/c1-14(27)26(11-15-2-3-16(20)10-19(15)21)17-4-6-18(7-5-17)30(28,29)24-8-9-25-13-22-12-23-25/h2-7,10,12-13,24H,8-9,11H2,1H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-N-[4-[2-(1,2,4-triazol-1-yl)ethylsulfamoyl]phenyl]acetamide?
N-[(2,4-difluorophenyl)methyl]-N-[4-[2-(1,2,4-triazol-1-yl)ethylsulfamoyl]phenyl]acetamide has a molecular weight of 435.46 g/mol, XLogP of 2.09, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-N-[4-[2-(1,2,4-triazol-1-yl)ethylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 77106075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).