3,5-dichloro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide

C13H11Cl2NO3S — CID 115753806

IUPAC3,5-dichloro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H11Cl2NO3S/c14-10-5-11(15)7-12(6-10)20(18,19)16-8-9-3-1-2-4-13(9)17/h1-7,16-17H,8H2
InChIKeyMTYBEQSGZOWWTA-UHFFFAOYSA-N
MW332.21 g/mol
LogP3.18
Rot. Bonds4

About 3,5-dichloro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide

3,5-dichloro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide (PubChem CID 115753806) has the molecular formula C13H11Cl2NO3S and a molecular weight of 332.21 g/mol. Its IUPAC name is 3,5-dichloro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide
PubChem CID115753806
Molecular FormulaC13H11Cl2NO3S
Molecular Weight332.21 g/mol
Exact Mass330.98
IUPAC Name3,5-dichloro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H11Cl2NO3S/c14-10-5-11(15)7-12(6-10)20(18,19)16-8-9-3-1-2-4-13(9)17/h1-7,16-17H,8H2
InChIKeyMTYBEQSGZOWWTA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[2-(2-hydroxyphenyl)ethyl]benzenesulfonamide
CID 110605350
3,5-dichloro-N-[(4-iodophenyl)methyl]benzenesulfonamide
CID 4657753
3,5-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 63311681
3,5-dichloro-N-(2-hydroxyphenyl)benzenesulfonamide
CID 4993615
4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 2492101
5-chloro-N-[(2-hydroxyphenyl)methyl]thiophene-2-sulfonamide
CID 113317167
N-[(2-hydroxyphenyl)methyl]-4-methoxybenzenesulfonamide
CID 115753767
N-[(2-hydroxyphenyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 114332748
3-chloro-N-[(2-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 3348028
3,5-dichloro-N-(2-chloroethyl)benzenesulfonamide
CID 61287690
5-hydroxy-N-(naphthalen-1-ylmethyl)naphthalene-2-sulfonamide
CID 10150268
3,5-dichloro-N-(2-chloroprop-2-enyl)benzenesulfonamide
CID 115638542

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide (CID 115753806) is 3,5-dichloro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide is O=S(=O)(NCc1ccccc1O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide?
The InChIKey is MTYBEQSGZOWWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO3S/c14-10-5-11(15)7-12(6-10)20(18,19)16-8-9-3-1-2-4-13(9)17/h1-7,16-17H,8H2.
What are the key properties of 3,5-dichloro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide?
3,5-dichloro-N-[(2-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 3,5-dichloro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 115753806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).