2,6-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide

C14H13Cl2NO3S — CID 63312066

IUPAC2,6-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cccc(CO)c1)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H13Cl2NO3S/c15-12-5-2-6-13(16)14(12)21(19,20)17-8-10-3-1-4-11(7-10)9-18/h1-7,17-18H,8-9H2
InChIKeyIZEBRSGFDCAALJ-UHFFFAOYSA-N
MW346.24 g/mol
LogP2.96
Rot. Bonds5

About 2,6-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide

2,6-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide (PubChem CID 63312066) has the molecular formula C14H13Cl2NO3S and a molecular weight of 346.24 g/mol. Its IUPAC name is 2,6-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
PubChem CID63312066
Molecular FormulaC14H13Cl2NO3S
Molecular Weight346.24 g/mol
Exact Mass345.00
IUPAC Name2,6-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cccc(CO)c1)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H13Cl2NO3S/c15-12-5-2-6-13(16)14(12)21(19,20)17-8-10-3-1-4-11(7-10)9-18/h1-7,17-18H,8-9H2
InChIKeyIZEBRSGFDCAALJ-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-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107232766
3,5-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 63311681
2-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-1,3-thiazole-5-sulfonamide
CID 107230342
N-[(3-aminophenyl)methyl]-2,4,6-trichlorobenzenesulfonamide
CID 43593561
N-[[3-(hydroxymethyl)phenyl]methyl]-3,4-dimethylbenzenesulfonamide
CID 63311640
N-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidine-1-sulfonamide
CID 55206379
4-cyano-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 63311549
3-amino-4-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107212446
4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-2-sulfonamide
CID 107212436
[3-[(propan-2-ylsulfamoylamino)methyl]phenyl]methanol
CID 115969766
2,6-dichloro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 26948085
4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylbenzenesulfonamide
CID 107212459

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 2,6-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide (CID 63312066) is 2,6-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 2,6-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 2,6-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide is O=S(=O)(NCc1cccc(CO)c1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is IZEBRSGFDCAALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO3S/c15-12-5-2-6-13(16)14(12)21(19,20)17-8-10-3-1-4-11(7-10)9-18/h1-7,17-18H,8-9H2.
What are the key properties of 2,6-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide?
2,6-dichloro-N-[[3-(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-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 63312066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).