2,6-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide

C14H13Cl2NO3S — CID 107232766

IUPAC2,6-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(CO)cc1)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H13Cl2NO3S/c15-12-2-1-3-13(16)14(12)21(19,20)17-8-10-4-6-11(9-18)7-5-10/h1-7,17-18H,8-9H2
InChIKeyRDHWNNLPZXXBMV-UHFFFAOYSA-N
MW346.24 g/mol
LogP2.96
Rot. Bonds5

About 2,6-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide

2,6-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide (PubChem CID 107232766) has the molecular formula C14H13Cl2NO3S and a molecular weight of 346.24 g/mol. Its IUPAC name is 2,6-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
PubChem CID107232766
Molecular FormulaC14H13Cl2NO3S
Molecular Weight346.24 g/mol
Exact Mass345.00
IUPAC Name2,6-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(CO)cc1)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H13Cl2NO3S/c15-12-2-1-3-13(16)14(12)21(19,20)17-8-10-4-6-11(9-18)7-5-10/h1-7,17-18H,8-9H2
InChIKeyRDHWNNLPZXXBMV-UHFFFAOYSA-N
XLogP2.96
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.24
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 63312066
2,6-dichloro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 26948085
2,6-dichloro-N-[[4-(diethylsulfamoyl)phenyl]methyl]benzenesulfonamide
CID 28536185
N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzenesulfonamide
CID 107232038
2,6-dichloro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide
CID 115754918
N-(4-aminobutyl)-2,6-dichlorobenzenesulfonamide;hydrochloride
CID 120583800
4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 90990660
4-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107232098
3-[(2,6-dichlorophenyl)sulfonylamino]propanoic acid
CID 697936
2,6-dichloro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65113165
3,5-difluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107232758
N-[[4-(hydroxymethyl)phenyl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 107232097

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 2,6-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide (CID 107232766) is 2,6-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 2,6-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 2,6-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide is O=S(=O)(NCc1ccc(CO)cc1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is RDHWNNLPZXXBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO3S/c15-12-2-1-3-13(16)14(12)21(19,20)17-8-10-4-6-11(9-18)7-5-10/h1-7,17-18H,8-9H2.
What are the key properties of 2,6-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide?
2,6-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 346.24 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 107232766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).