3,4-dichloro-N-[(3,5-dichlorophenyl)methyl]benzenesulfonamide

C13H9Cl4NO2S — CID 2805810

IUPAC3,4-dichloro-N-[(3,5-dichlorophenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cc(Cl)cc(Cl)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H9Cl4NO2S/c14-9-3-8(4-10(15)5-9)7-18-21(19,20)11-1-2-12(16)13(17)6-11/h1-6,18H,7H2
InChIKeyBMWMUHWZQNGOLG-UHFFFAOYSA-N
MW385.10 g/mol
LogP4.78
Rot. Bonds4

About 3,4-dichloro-N-[(3,5-dichlorophenyl)methyl]benzenesulfonamide

3,4-dichloro-N-[(3,5-dichlorophenyl)methyl]benzenesulfonamide (PubChem CID 2805810) has the molecular formula C13H9Cl4NO2S and a molecular weight of 385.10 g/mol. Its IUPAC name is 3,4-dichloro-N-[(3,5-dichlorophenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-[(3,5-dichlorophenyl)methyl]benzenesulfonamide
PubChem CID2805810
Molecular FormulaC13H9Cl4NO2S
Molecular Weight385.10 g/mol
Exact Mass382.91
IUPAC Name3,4-dichloro-N-[(3,5-dichlorophenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cc(Cl)cc(Cl)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H9Cl4NO2S/c14-9-3-8(4-10(15)5-9)7-18-21(19,20)11-1-2-12(16)13(17)6-11/h1-6,18H,7H2
InChIKeyBMWMUHWZQNGOLG-UHFFFAOYSA-N
XLogP4.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.10
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dichloro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 5183211
N-[(3,5-dichlorophenyl)methyl]-4-iodobenzenesulfonamide
CID 3717692
3,4-dichloro-N-[[3-(chloromethyl)phenyl]methyl]benzenesulfonamide
CID 65032700
N-[(3,5-dichlorophenyl)methyl]-3-fluorobenzenesulfonamide
CID 3858076
3,4-dichloro-N-[(3-hydroxyphenyl)methyl]benzenesulfonamide
CID 61018710
3-chloro-N-[(4-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 26945724
4-acetyl-N-[(3,5-dichlorophenyl)methyl]benzenesulfonamide
CID 5013211
3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide
CID 134036423
3,4-dichloro-N-(2-fluoroethyl)benzenesulfonamide
CID 87814655
3-chloro-N-[(3-chloro-4-methylphenyl)methyl]-4-methylbenzenesulfonamide
CID 3673362
3,4-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 738690
N-(2-aminoethyl)-3,4-dichlorobenzenesulfonamide;hydrochloride
CID 119960311

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(3,5-dichlorophenyl)methyl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-[(3,5-dichlorophenyl)methyl]benzenesulfonamide (CID 2805810) is 3,4-dichloro-N-[(3,5-dichlorophenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-[(3,5-dichlorophenyl)methyl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-[(3,5-dichlorophenyl)methyl]benzenesulfonamide is O=S(=O)(NCc1cc(Cl)cc(Cl)c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[(3,5-dichlorophenyl)methyl]benzenesulfonamide?
The InChIKey is BMWMUHWZQNGOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl4NO2S/c14-9-3-8(4-10(15)5-9)7-18-21(19,20)11-1-2-12(16)13(17)6-11/h1-6,18H,7H2.
What are the key properties of 3,4-dichloro-N-[(3,5-dichlorophenyl)methyl]benzenesulfonamide?
3,4-dichloro-N-[(3,5-dichlorophenyl)methyl]benzenesulfonamide has a molecular weight of 385.10 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[(3,5-dichlorophenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 2805810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).