2,4-dichloro-N-[(3-chloro-2,6-difluorophenyl)methyl]benzenesulfonamide

C13H8Cl3F2NO2S — CID 3710216

IUPAC2,4-dichloro-N-[(3-chloro-2,6-difluorophenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1c(F)ccc(Cl)c1F)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H8Cl3F2NO2S/c14-7-1-4-12(10(16)5-7)22(20,21)19-6-8-11(17)3-2-9(15)13(8)18/h1-5,19H,6H2
InChIKeyGVIFOSASPXVLBW-UHFFFAOYSA-N
MW386.63 g/mol
LogP4.40
Rot. Bonds4

About 2,4-dichloro-N-[(3-chloro-2,6-difluorophenyl)methyl]benzenesulfonamide

2,4-dichloro-N-[(3-chloro-2,6-difluorophenyl)methyl]benzenesulfonamide (PubChem CID 3710216) has the molecular formula C13H8Cl3F2NO2S and a molecular weight of 386.63 g/mol. Its IUPAC name is 2,4-dichloro-N-[(3-chloro-2,6-difluorophenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(3-chloro-2,6-difluorophenyl)methyl]benzenesulfonamide
PubChem CID3710216
Molecular FormulaC13H8Cl3F2NO2S
Molecular Weight386.63 g/mol
Exact Mass384.93
IUPAC Name2,4-dichloro-N-[(3-chloro-2,6-difluorophenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1c(F)ccc(Cl)c1F)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H8Cl3F2NO2S/c14-7-1-4-12(10(16)5-7)22(20,21)19-6-8-11(17)3-2-9(15)13(8)18/h1-5,19H,6H2
InChIKeyGVIFOSASPXVLBW-UHFFFAOYSA-N
XLogP4.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.63
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[(3-chloro-2,6-difluorophenyl)methyl]-2-fluorobenzenesulfonamide
CID 5239900
N-[(3-chloro-2,6-difluorophenyl)methyl]-3-fluorobenzenesulfonamide
CID 5179910
N-[(3-chloro-2,6-difluorophenyl)methyl]-2-nitrobenzenesulfonamide
CID 3773427
2,4-dichloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 125467959
N-[(4-bromophenyl)methyl]-2,4-dichlorobenzenesulfonamide
CID 3842755
2,4-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3332822
N-[(2-chloro-3,6-difluorophenyl)methyl]-2,4-difluorobenzenesulfonamide
CID 4994625
2,4-dichloro-N-(2-oxoethyl)benzenesulfonamide
CID 143489858
N-[(3-chloro-2,6-difluorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 3829002
2,5-dichloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 4858598
4-amino-2-chloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 28525638
2,4-dichloro-N-(2-methoxyethyl)benzenesulfonamide
CID 15943940

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(3-chloro-2,6-difluorophenyl)methyl]benzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-[(3-chloro-2,6-difluorophenyl)methyl]benzenesulfonamide (CID 3710216) is 2,4-dichloro-N-[(3-chloro-2,6-difluorophenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-[(3-chloro-2,6-difluorophenyl)methyl]benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-[(3-chloro-2,6-difluorophenyl)methyl]benzenesulfonamide is O=S(=O)(NCc1c(F)ccc(Cl)c1F)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[(3-chloro-2,6-difluorophenyl)methyl]benzenesulfonamide?
The InChIKey is GVIFOSASPXVLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3F2NO2S/c14-7-1-4-12(10(16)5-7)22(20,21)19-6-8-11(17)3-2-9(15)13(8)18/h1-5,19H,6H2.
What are the key properties of 2,4-dichloro-N-[(3-chloro-2,6-difluorophenyl)methyl]benzenesulfonamide?
2,4-dichloro-N-[(3-chloro-2,6-difluorophenyl)methyl]benzenesulfonamide has a molecular weight of 386.63 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(3-chloro-2,6-difluorophenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 3710216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).