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

C13H11Cl2NO3S — CID 61018710

IUPAC3,4-dichloro-N-[(3-hydroxyphenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cccc(O)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H11Cl2NO3S/c14-12-5-4-11(7-13(12)15)20(18,19)16-8-9-2-1-3-10(17)6-9/h1-7,16-17H,8H2
InChIKeyDDEBPEPQVVMAET-UHFFFAOYSA-N
MW332.21 g/mol
LogP3.18
Rot. Bonds4

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

3,4-dichloro-N-[(3-hydroxyphenyl)methyl]benzenesulfonamide (PubChem CID 61018710) has the molecular formula C13H11Cl2NO3S and a molecular weight of 332.21 g/mol. Its IUPAC name is 3,4-dichloro-N-[(3-hydroxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-[(3-hydroxyphenyl)methyl]benzenesulfonamide
PubChem CID61018710
Molecular FormulaC13H11Cl2NO3S
Molecular Weight332.21 g/mol
Exact Mass330.98
IUPAC Name3,4-dichloro-N-[(3-hydroxyphenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cccc(O)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H11Cl2NO3S/c14-12-5-4-11(7-13(12)15)20(18,19)16-8-9-2-1-3-10(17)6-9/h1-7,16-17H,8H2
InChIKeyDDEBPEPQVVMAET-UHFFFAOYSA-N
XLogP3.18
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-[[3-(chloromethyl)phenyl]methyl]benzenesulfonamide
CID 65032700
3,4-dichloro-N-[(3,5-dichlorophenyl)methyl]benzenesulfonamide
CID 2805810
3,4-dichloro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 5183211
N-[(3-cyanophenyl)methyl]-3-hydroxybenzenesulfonamide
CID 81258729
3-amino-4-chloro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 28970051
3-chloro-N-[(3-iodophenyl)methyl]-4-methylbenzenesulfonamide
CID 5017106
N-[2-chloro-4-[(3-chlorophenyl)methylsulfamoyl]phenyl]acetamide
CID 5016142
(3,4-dichlorophenyl)methyl 5-(benzylsulfamoyl)-2-hydroxybenzoate
CID 25036938
3-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 81259081
3-chloro-N-[(3-chloro-4-methylphenyl)methyl]-4-methylbenzenesulfonamide
CID 3673362
3,4-dichloro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 47292199
3,4-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 738690

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(3-hydroxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-[(3-hydroxyphenyl)methyl]benzenesulfonamide (CID 61018710) is 3,4-dichloro-N-[(3-hydroxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-[(3-hydroxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-[(3-hydroxyphenyl)methyl]benzenesulfonamide is O=S(=O)(NCc1cccc(O)c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[(3-hydroxyphenyl)methyl]benzenesulfonamide?
The InChIKey is DDEBPEPQVVMAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO3S/c14-12-5-4-11(7-13(12)15)20(18,19)16-8-9-2-1-3-10(17)6-9/h1-7,16-17H,8H2.
What are the key properties of 3,4-dichloro-N-[(3-hydroxyphenyl)methyl]benzenesulfonamide?
3,4-dichloro-N-[(3-hydroxyphenyl)methyl]benzenesulfonamide has a molecular weight of 332.21 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[(3-hydroxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 61018710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).