2,5-dichloro-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide

C14H11Cl2F2NO2S — CID 24679062

IUPAC2,5-dichloro-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide
SMILESCN(Cc1ccc(F)c(F)c1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H11Cl2F2NO2S/c1-19(8-9-2-5-12(17)13(18)6-9)22(20,21)14-7-10(15)3-4-11(14)16/h2-7H,8H2,1H3
InChIKeyYUGVZHNPOGDKDW-UHFFFAOYSA-N
MW366.22 g/mol
LogP4.09
Rot. Bonds4

About 2,5-dichloro-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide

2,5-dichloro-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide (PubChem CID 24679062) has the molecular formula C14H11Cl2F2NO2S and a molecular weight of 366.22 g/mol. Its IUPAC name is 2,5-dichloro-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide
PubChem CID24679062
Molecular FormulaC14H11Cl2F2NO2S
Molecular Weight366.22 g/mol
Exact Mass364.99
IUPAC Name2,5-dichloro-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide
SMILESCN(Cc1ccc(F)c(F)c1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H11Cl2F2NO2S/c1-19(8-9-2-5-12(17)13(18)6-9)22(20,21)14-7-10(15)3-4-11(14)16/h2-7H,8H2,1H3
InChIKeyYUGVZHNPOGDKDW-UHFFFAOYSA-N
XLogP4.09
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.22
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dichloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 4789845
2,6-dichloro-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 24679077
4-[[(2,5-dichlorophenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide
CID 26542014
2-amino-5-chloro-N-[(4-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 60986465
5-amino-N-[(3,4-difluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 61113484
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 4816152
2-amino-4-chloro-N-[(4-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 61106855
3-chloro-N-[(3,4-difluorophenyl)methyl]-N-methylpropane-1-sulfonamide
CID 54877367
N-[(3,4-difluorophenyl)methyl]-N-methyl-1H-pyrazole-5-sulfonamide
CID 102692091
4-cyano-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 24679084
N-[(3,4-difluorophenyl)methyl]-4-methoxy-N-methyl-2-nitrobenzenesulfonamide
CID 55556018
2,5-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylbenzenesulfonamide
CID 37309076

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide (CID 24679062) is 2,5-dichloro-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide is CN(Cc1ccc(F)c(F)c1)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide?
The InChIKey is YUGVZHNPOGDKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2F2NO2S/c1-19(8-9-2-5-12(17)13(18)6-9)22(20,21)14-7-10(15)3-4-11(14)16/h2-7H,8H2,1H3.
What are the key properties of 2,5-dichloro-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide?
2,5-dichloro-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide has a molecular weight of 366.22 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 24679062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).