2,6-dichloro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide

C13H11Cl2NO3S — CID 53352077

IUPAC2,6-dichloro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1CO)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H11Cl2NO3S/c14-10-5-3-6-11(15)13(10)20(18,19)16-12-7-2-1-4-9(12)8-17/h1-7,16-17H,8H2
InChIKeyKXJABKSZDWQWBO-UHFFFAOYSA-N
MW332.21 g/mol
LogP3.29
Rot. Bonds4

About 2,6-dichloro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide

2,6-dichloro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide (PubChem CID 53352077) has the molecular formula C13H11Cl2NO3S and a molecular weight of 332.21 g/mol. Its IUPAC name is 2,6-dichloro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-dichloro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide
PubChem CID53352077
Molecular FormulaC13H11Cl2NO3S
Molecular Weight332.21 g/mol
Exact Mass330.98
IUPAC Name2,6-dichloro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1CO)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H11Cl2NO3S/c14-10-5-3-6-11(15)13(10)20(18,19)16-12-7-2-1-4-9(12)8-17/h1-7,16-17H,8H2
InChIKeyKXJABKSZDWQWBO-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(2,6-dichlorophenyl)methylamino]phenyl]methanol
CID 43229623
2-chloro-N-[2-(hydroxymethyl)phenyl]pyrimidine-5-sulfonamide
CID 61052576
4-chloro-N-[2-(hydroxymethyl)phenyl]-1-methylpyrazole-5-sulfonamide
CID 106314873
N-[2-(hydroxymethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 60640605
3-[[2-(hydroxymethyl)phenyl]sulfamoyl]benzoic acid
CID 43218183
2,6-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 63312066
2,6-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107232766
2-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]-N-(2-methylphenyl)acetamide
CID 25335507
2,5-dibromo-N-[2-(hydroxymethyl)phenyl]thiophene-3-sulfonamide
CID 60651453
2,6-difluoro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 43606132
2-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]acetate
CID 7042035
2,6-dichloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 17486851

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide?
The IUPAC name of 2,6-dichloro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide (CID 53352077) is 2,6-dichloro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,6-dichloro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,6-dichloro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccccc1CO)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide?
The InChIKey is KXJABKSZDWQWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO3S/c14-10-5-3-6-11(15)13(10)20(18,19)16-12-7-2-1-4-9(12)8-17/h1-7,16-17H,8H2.
What are the key properties of 2,6-dichloro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide?
2,6-dichloro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide has a molecular weight of 332.21 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 53352077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).