N-[(3,5-dichlorophenyl)methyl]-3-fluorobenzenesulfonamide

C13H10Cl2FNO2S — CID 3858076

IUPACN-[(3,5-dichlorophenyl)methyl]-3-fluorobenzenesulfonamide
SMILESO=S(=O)(NCc1cc(Cl)cc(Cl)c1)c1cccc(F)c1
InChIInChI=1S/C13H10Cl2FNO2S/c14-10-4-9(5-11(15)6-10)8-17-20(18,19)13-3-1-2-12(16)7-13/h1-7,17H,8H2
InChIKeyCTOSVCFCFXGUAP-UHFFFAOYSA-N
MW334.20 g/mol
LogP3.61
Rot. Bonds4

About N-[(3,5-dichlorophenyl)methyl]-3-fluorobenzenesulfonamide

N-[(3,5-dichlorophenyl)methyl]-3-fluorobenzenesulfonamide (PubChem CID 3858076) has the molecular formula C13H10Cl2FNO2S and a molecular weight of 334.20 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)methyl]-3-fluorobenzenesulfonamide
PubChem CID3858076
Molecular FormulaC13H10Cl2FNO2S
Molecular Weight334.20 g/mol
Exact Mass332.98
IUPAC NameN-[(3,5-dichlorophenyl)methyl]-3-fluorobenzenesulfonamide
SMILESO=S(=O)(NCc1cc(Cl)cc(Cl)c1)c1cccc(F)c1
InChIInChI=1S/C13H10Cl2FNO2S/c14-10-4-9(5-11(15)6-10)8-17-20(18,19)13-3-1-2-12(16)7-13/h1-7,17H,8H2
InChIKeyCTOSVCFCFXGUAP-UHFFFAOYSA-N
XLogP3.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.20
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 25046873
3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 30170522
3,4-dichloro-N-[(3,5-dichlorophenyl)methyl]benzenesulfonamide
CID 2805810
N-[(3-bromo-5-chlorophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 145433892
N-[[3-(bromomethyl)phenyl]methyl]-3-fluorobenzenesulfonamide
CID 114297989
N-[(2-chlorophenyl)methyl]-3-fluorobenzenesulfonamide
CID 3851131
N-[(3-chloro-2,6-difluorophenyl)methyl]-3-fluorobenzenesulfonamide
CID 5179910
3-chloro-N-[(2,5-difluorophenyl)methyl]benzenesulfonamide
CID 110781006
3-amino-4-chloro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 28970051
3-fluoro-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 18096859
N-[(3,5-dichlorophenyl)methyl]-4-iodobenzenesulfonamide
CID 3717692
N-benzyl-3-chlorobenzenesulfonamide
CID 2405255

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)methyl]-3-fluorobenzenesulfonamide?
The IUPAC name of N-[(3,5-dichlorophenyl)methyl]-3-fluorobenzenesulfonamide (CID 3858076) is N-[(3,5-dichlorophenyl)methyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]-3-fluorobenzenesulfonamide is O=S(=O)(NCc1cc(Cl)cc(Cl)c1)c1cccc(F)c1.
What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]-3-fluorobenzenesulfonamide?
The InChIKey is CTOSVCFCFXGUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FNO2S/c14-10-4-9(5-11(15)6-10)8-17-20(18,19)13-3-1-2-12(16)7-13/h1-7,17H,8H2.
What are the key properties of N-[(3,5-dichlorophenyl)methyl]-3-fluorobenzenesulfonamide?
N-[(3,5-dichlorophenyl)methyl]-3-fluorobenzenesulfonamide has a molecular weight of 334.20 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)methyl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 3858076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).