3-chloro-N-[(2,3-dichlorophenyl)methyl]-4-fluorobenzenesulfonamide

C13H9Cl3FNO2S — CID 3843570

IUPAC3-chloro-N-[(2,3-dichlorophenyl)methyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCc1cccc(Cl)c1Cl)c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H9Cl3FNO2S/c14-10-3-1-2-8(13(10)16)7-18-21(19,20)9-4-5-12(17)11(15)6-9/h1-6,18H,7H2
InChIKeyLXBCJTAKYWJTAA-UHFFFAOYSA-N
MW368.64 g/mol
LogP4.26
Rot. Bonds4

About 3-chloro-N-[(2,3-dichlorophenyl)methyl]-4-fluorobenzenesulfonamide

3-chloro-N-[(2,3-dichlorophenyl)methyl]-4-fluorobenzenesulfonamide (PubChem CID 3843570) has the molecular formula C13H9Cl3FNO2S and a molecular weight of 368.64 g/mol. Its IUPAC name is 3-chloro-N-[(2,3-dichlorophenyl)methyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(2,3-dichlorophenyl)methyl]-4-fluorobenzenesulfonamide
PubChem CID3843570
Molecular FormulaC13H9Cl3FNO2S
Molecular Weight368.64 g/mol
Exact Mass366.94
IUPAC Name3-chloro-N-[(2,3-dichlorophenyl)methyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCc1cccc(Cl)c1Cl)c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H9Cl3FNO2S/c14-10-3-1-2-8(13(10)16)7-18-21(19,20)9-4-5-12(17)11(15)6-9/h1-6,18H,7H2
InChIKeyLXBCJTAKYWJTAA-UHFFFAOYSA-N
XLogP4.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.64
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[(2-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 3348028
3-chloro-N-[(2,5-difluorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 25047062
3-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 3338012
3-chloro-N-[(4-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 26945724
3-chloro-N-[(4-chloro-2-methylphenyl)methyl]-4-fluorobenzenesulfonamide
CID 3830698
3-amino-N-[(2-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 29269508
N-[(2-chlorophenyl)methyl]-3-fluorobenzenesulfonamide
CID 3851131
3-chloro-4-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide
CID 24581072
4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 2492101
4-amino-3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]benzenesulfonamide
CID 115330027
3-chloro-4-cyano-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 115588749
2-[(3-chloro-4-fluorophenyl)sulfonylamino]acetic acid
CID 697755

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2,3-dichlorophenyl)methyl]-4-fluorobenzenesulfonamide?
The IUPAC name of 3-chloro-N-[(2,3-dichlorophenyl)methyl]-4-fluorobenzenesulfonamide (CID 3843570) is 3-chloro-N-[(2,3-dichlorophenyl)methyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[(2,3-dichlorophenyl)methyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[(2,3-dichlorophenyl)methyl]-4-fluorobenzenesulfonamide is O=S(=O)(NCc1cccc(Cl)c1Cl)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-N-[(2,3-dichlorophenyl)methyl]-4-fluorobenzenesulfonamide?
The InChIKey is LXBCJTAKYWJTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3FNO2S/c14-10-3-1-2-8(13(10)16)7-18-21(19,20)9-4-5-12(17)11(15)6-9/h1-6,18H,7H2.
What are the key properties of 3-chloro-N-[(2,3-dichlorophenyl)methyl]-4-fluorobenzenesulfonamide?
3-chloro-N-[(2,3-dichlorophenyl)methyl]-4-fluorobenzenesulfonamide has a molecular weight of 368.64 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2,3-dichlorophenyl)methyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 3843570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).