5-bromo-2-[(3-cyanophenyl)methoxy]benzenesulfonamide

C14H11BrN2O3S — CID 82916267

IUPAC5-bromo-2-[(3-cyanophenyl)methoxy]benzenesulfonamide
SMILESN#Cc1cccc(COc2ccc(Br)cc2S(N)(=O)=O)c1
InChIInChI=1S/C14H11BrN2O3S/c15-12-4-5-13(14(7-12)21(17,18)19)20-9-11-3-1-2-10(6-11)8-16/h1-7H,9H2,(H2,17,18,19)
InChIKeyHBDYZSOGWKJDNW-UHFFFAOYSA-N
MW367.22 g/mol
LogP2.55
Rot. Bonds4

About 5-bromo-2-[(3-cyanophenyl)methoxy]benzenesulfonamide

5-bromo-2-[(3-cyanophenyl)methoxy]benzenesulfonamide (PubChem CID 82916267) has the molecular formula C14H11BrN2O3S and a molecular weight of 367.22 g/mol. Its IUPAC name is 5-bromo-2-[(3-cyanophenyl)methoxy]benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-[(3-cyanophenyl)methoxy]benzenesulfonamide
PubChem CID82916267
Molecular FormulaC14H11BrN2O3S
Molecular Weight367.22 g/mol
Exact Mass365.97
IUPAC Name5-bromo-2-[(3-cyanophenyl)methoxy]benzenesulfonamide
SMILESN#Cc1cccc(COc2ccc(Br)cc2S(N)(=O)=O)c1
InChIInChI=1S/C14H11BrN2O3S/c15-12-4-5-13(14(7-12)21(17,18)19)20-9-11-3-1-2-10(6-11)8-16/h1-7H,9H2,(H2,17,18,19)
InChIKeyHBDYZSOGWKJDNW-UHFFFAOYSA-N
XLogP2.55
TPSA93.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.22
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-[(3-cyanophenyl)methoxy]benzenesulfonyl chloride
CID 82910903
3-[(5-bromo-2-formylphenoxy)methyl]benzonitrile
CID 164566411
5-bromo-2-[(3,4-dichlorophenyl)methoxy]benzenesulfonamide
CID 62103693
3-[[4-bromo-2-(ethylaminomethyl)phenoxy]methyl]benzonitrile
CID 60882737
3-[[5-bromo-2-(1-hydroxyethyl)phenoxy]methyl]benzonitrile
CID 102948224
3-[(1-bromonaphthalen-2-yl)oxymethyl]benzonitrile
CID 60623214
3-[(5-bromo-2-formyl-4-methylphenoxy)methyl]benzonitrile
CID 166973593
5-bromo-2-but-3-ynoxybenzenesulfonamide
CID 82915032
3-[(2-ethylphenoxy)methyl]benzonitrile
CID 39158687
3-[[4-(2-aminoethyl)-2,6-dibromophenoxy]methyl]benzonitrile
CID 107739569
3-[[4-(bromomethyl)-2-fluorophenoxy]methyl]benzonitrile
CID 107691629
5-bromo-2-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 62104800

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(3-cyanophenyl)methoxy]benzenesulfonamide?
The IUPAC name of 5-bromo-2-[(3-cyanophenyl)methoxy]benzenesulfonamide (CID 82916267) is 5-bromo-2-[(3-cyanophenyl)methoxy]benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-[(3-cyanophenyl)methoxy]benzenesulfonamide?
The canonical SMILES for 5-bromo-2-[(3-cyanophenyl)methoxy]benzenesulfonamide is N#Cc1cccc(COc2ccc(Br)cc2S(N)(=O)=O)c1.
What is the InChIKey of 5-bromo-2-[(3-cyanophenyl)methoxy]benzenesulfonamide?
The InChIKey is HBDYZSOGWKJDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O3S/c15-12-4-5-13(14(7-12)21(17,18)19)20-9-11-3-1-2-10(6-11)8-16/h1-7H,9H2,(H2,17,18,19).
What are the key properties of 5-bromo-2-[(3-cyanophenyl)methoxy]benzenesulfonamide?
5-bromo-2-[(3-cyanophenyl)methoxy]benzenesulfonamide has a molecular weight of 367.22 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(3-cyanophenyl)methoxy]benzenesulfonamide is sourced from PubChem (CID 82916267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).