3,5-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide

C14H13Cl2NO3S — CID 63311681

IUPAC3,5-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cccc(CO)c1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H13Cl2NO3S/c15-12-5-13(16)7-14(6-12)21(19,20)17-8-10-2-1-3-11(4-10)9-18/h1-7,17-18H,8-9H2
InChIKeyNJJLTJJATWNREM-UHFFFAOYSA-N
MW346.24 g/mol
LogP2.96
Rot. Bonds5

About 3,5-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide

3,5-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide (PubChem CID 63311681) has the molecular formula C14H13Cl2NO3S and a molecular weight of 346.24 g/mol. Its IUPAC name is 3,5-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
PubChem CID63311681
Molecular FormulaC14H13Cl2NO3S
Molecular Weight346.24 g/mol
Exact Mass345.00
IUPAC Name3,5-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cccc(CO)c1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H13Cl2NO3S/c15-12-5-13(16)7-14(6-12)21(19,20)17-8-10-2-1-3-11(4-10)9-18/h1-7,17-18H,8-9H2
InChIKeyNJJLTJJATWNREM-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
N-[[3-(hydroxymethyl)phenyl]methyl]-3,4-dimethylbenzenesulfonamide
CID 63311640
4-cyano-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 63311549
3-amino-4-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107212446
3,5-dichloro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide
CID 115753806
3,5-dichloro-N-[(4-iodophenyl)methyl]benzenesulfonamide
CID 4657753
N-benzyl-3-chlorobenzenesulfonamide
CID 2405255
2-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-1,3-thiazole-5-sulfonamide
CID 107230342
N-[(3,5-dichlorophenyl)methyl]-3-fluorobenzenesulfonamide
CID 3858076
5-cyano-N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-2-sulfonamide
CID 106272347
3,5-dichloro-N-[[4-(dimethylamino)phenyl]methyl]benzenesulfonamide
CID 3822716
3,4-dichloro-N-[[3-(chloromethyl)phenyl]methyl]benzenesulfonamide
CID 65032700

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide (CID 63311681) is 3,5-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide is O=S(=O)(NCc1cccc(CO)c1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is NJJLTJJATWNREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO3S/c15-12-5-13(16)7-14(6-12)21(19,20)17-8-10-2-1-3-11(4-10)9-18/h1-7,17-18H,8-9H2.
What are the key properties of 3,5-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide?
3,5-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 3,5-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 63311681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).