3-chloro-4-(2-methoxyphenoxy)benzenesulfonamide

C13H12ClNO4S — CID 61374264

IUPAC3-chloro-4-(2-methoxyphenoxy)benzenesulfonamide
SMILESCOc1ccccc1Oc1ccc(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C13H12ClNO4S/c1-18-12-4-2-3-5-13(12)19-11-7-6-9(8-10(11)14)20(15,16)17/h2-8H,1H3,(H2,15,16,17)
InChIKeyUAGPMEFQSURISK-UHFFFAOYSA-N
MW313.76 g/mol
LogP2.79
Rot. Bonds4

About 3-chloro-4-(2-methoxyphenoxy)benzenesulfonamide

3-chloro-4-(2-methoxyphenoxy)benzenesulfonamide (PubChem CID 61374264) has the molecular formula C13H12ClNO4S and a molecular weight of 313.76 g/mol. Its IUPAC name is 3-chloro-4-(2-methoxyphenoxy)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-(2-methoxyphenoxy)benzenesulfonamide
PubChem CID61374264
Molecular FormulaC13H12ClNO4S
Molecular Weight313.76 g/mol
Exact Mass313.02
IUPAC Name3-chloro-4-(2-methoxyphenoxy)benzenesulfonamide
SMILESCOc1ccccc1Oc1ccc(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C13H12ClNO4S/c1-18-12-4-2-3-5-13(12)19-11-7-6-9(8-10(11)14)20(15,16)17/h2-8H,1H3,(H2,15,16,17)
InChIKeyUAGPMEFQSURISK-UHFFFAOYSA-N
XLogP2.79
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.76
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-(2-methoxyphenoxy)benzenesulfonamide
CID 82899200
3-chloro-4-(2,5-dimethylphenoxy)benzenesulfonamide
CID 61373514
CID 118692692
CID 118692692
3-chloro-4-(2,5-difluorophenoxy)benzenesulfonamide
CID 63268736
3-chloro-4-(3,5-dimethylphenoxy)benzenesulfonamide
CID 61373703
2-(2,4-dichlorophenoxy)benzenesulfonamide
CID 2805105
3-chloro-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 961849
3-chloro-4-[3-(2-methoxyethoxy)propoxy]benzenesulfonamide
CID 103410565
3-chloro-4-(2-fluorophenoxy)benzenesulfonyl chloride
CID 61375597
3-bromo-4-(4-bromo-2,5-dichlorophenoxy)benzenesulfonamide
CID 107659863
3-chloro-4-(4-cyanophenoxy)benzenesulfonamide
CID 61374077
4-(2,4-dichlorophenoxy)benzenesulfonamide
CID 43342686

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2-methoxyphenoxy)benzenesulfonamide?
The IUPAC name of 3-chloro-4-(2-methoxyphenoxy)benzenesulfonamide (CID 61374264) is 3-chloro-4-(2-methoxyphenoxy)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-(2-methoxyphenoxy)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-(2-methoxyphenoxy)benzenesulfonamide is COc1ccccc1Oc1ccc(S(N)(=O)=O)cc1Cl.
What is the InChIKey of 3-chloro-4-(2-methoxyphenoxy)benzenesulfonamide?
The InChIKey is UAGPMEFQSURISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO4S/c1-18-12-4-2-3-5-13(12)19-11-7-6-9(8-10(11)14)20(15,16)17/h2-8H,1H3,(H2,15,16,17).
What are the key properties of 3-chloro-4-(2-methoxyphenoxy)benzenesulfonamide?
3-chloro-4-(2-methoxyphenoxy)benzenesulfonamide has a molecular weight of 313.76 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2-methoxyphenoxy)benzenesulfonamide is sourced from PubChem (CID 61374264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).