3,4-dichloro-N-[[3-(chloromethyl)phenyl]methyl]benzenesulfonamide

C14H12Cl3NO2S — CID 65032700

IUPAC3,4-dichloro-N-[[3-(chloromethyl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cccc(CCl)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H12Cl3NO2S/c15-8-10-2-1-3-11(6-10)9-18-21(19,20)12-4-5-13(16)14(17)7-12/h1-7,18H,8-9H2
InChIKeyHJWWMEXPGCQPIG-UHFFFAOYSA-N
MW364.68 g/mol
LogP4.21
Rot. Bonds5

About 3,4-dichloro-N-[[3-(chloromethyl)phenyl]methyl]benzenesulfonamide

3,4-dichloro-N-[[3-(chloromethyl)phenyl]methyl]benzenesulfonamide (PubChem CID 65032700) has the molecular formula C14H12Cl3NO2S and a molecular weight of 364.68 g/mol. Its IUPAC name is 3,4-dichloro-N-[[3-(chloromethyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-[[3-(chloromethyl)phenyl]methyl]benzenesulfonamide
PubChem CID65032700
Molecular FormulaC14H12Cl3NO2S
Molecular Weight364.68 g/mol
Exact Mass362.97
IUPAC Name3,4-dichloro-N-[[3-(chloromethyl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cccc(CCl)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H12Cl3NO2S/c15-8-10-2-1-3-11(6-10)9-18-21(19,20)12-4-5-13(16)14(17)7-12/h1-7,18H,8-9H2
InChIKeyHJWWMEXPGCQPIG-UHFFFAOYSA-N
XLogP4.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.68
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-dichloro-N-[(3-hydroxyphenyl)methyl]benzenesulfonamide
CID 61018710
N-[[3-(chloromethyl)phenyl]methyl]-4-methylbenzenesulfonamide
CID 65032501
3,4-dichloro-N-[(3,5-dichlorophenyl)methyl]benzenesulfonamide
CID 2805810
N-[[3-(chloromethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide
CID 65032352
3,4-dichloro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 5183211
3,4-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 738690
3-amino-4-chloro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 28970051
3-chloro-N-[(3-iodophenyl)methyl]-4-methylbenzenesulfonamide
CID 5017106
3-chloro-N-[(3-chloro-4-methylphenyl)methyl]-4-methylbenzenesulfonamide
CID 3673362
N-[[3-(chloromethyl)phenyl]methyl]-2-fluorobenzenesulfonamide
CID 65032551
N-[[3-(chloromethyl)phenyl]methyl]thiophene-2-sulfonamide
CID 65032752
N-[(3,4-dichlorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 897393

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[[3-(chloromethyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-[[3-(chloromethyl)phenyl]methyl]benzenesulfonamide (CID 65032700) is 3,4-dichloro-N-[[3-(chloromethyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-[[3-(chloromethyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-[[3-(chloromethyl)phenyl]methyl]benzenesulfonamide is O=S(=O)(NCc1cccc(CCl)c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[[3-(chloromethyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is HJWWMEXPGCQPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3NO2S/c15-8-10-2-1-3-11(6-10)9-18-21(19,20)12-4-5-13(16)14(17)7-12/h1-7,18H,8-9H2.
What are the key properties of 3,4-dichloro-N-[[3-(chloromethyl)phenyl]methyl]benzenesulfonamide?
3,4-dichloro-N-[[3-(chloromethyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 364.68 g/mol, XLogP of 4.21, 5 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-(chloromethyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 65032700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).