4-[(5-chloro-2-fluorophenyl)methoxy]-3-methylbenzenesulfonamide

C14H13ClFNO3S — CID 103047117

IUPAC4-[(5-chloro-2-fluorophenyl)methoxy]-3-methylbenzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)ccc1OCc1cc(Cl)ccc1F
InChIInChI=1S/C14H13ClFNO3S/c1-9-6-12(21(17,18)19)3-5-14(9)20-8-10-7-11(15)2-4-13(10)16/h2-7H,8H2,1H3,(H2,17,18,19)
InChIKeyAULYIHINKBGTDN-UHFFFAOYSA-N
MW329.78 g/mol
LogP3.01
Rot. Bonds4

About 4-[(5-chloro-2-fluorophenyl)methoxy]-3-methylbenzenesulfonamide

4-[(5-chloro-2-fluorophenyl)methoxy]-3-methylbenzenesulfonamide (PubChem CID 103047117) has the molecular formula C14H13ClFNO3S and a molecular weight of 329.78 g/mol. Its IUPAC name is 4-[(5-chloro-2-fluorophenyl)methoxy]-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(5-chloro-2-fluorophenyl)methoxy]-3-methylbenzenesulfonamide
PubChem CID103047117
Molecular FormulaC14H13ClFNO3S
Molecular Weight329.78 g/mol
Exact Mass329.03
IUPAC Name4-[(5-chloro-2-fluorophenyl)methoxy]-3-methylbenzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)ccc1OCc1cc(Cl)ccc1F
InChIInChI=1S/C14H13ClFNO3S/c1-9-6-12(21(17,18)19)3-5-14(9)20-8-10-7-11(15)2-4-13(10)16/h2-7H,8H2,1H3,(H2,17,18,19)
InChIKeyAULYIHINKBGTDN-UHFFFAOYSA-N
XLogP3.01
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-fluorophenyl)methoxy]-3-methylbenzenesulfonamide?
The IUPAC name of 4-[(5-chloro-2-fluorophenyl)methoxy]-3-methylbenzenesulfonamide (CID 103047117) is 4-[(5-chloro-2-fluorophenyl)methoxy]-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-[(5-chloro-2-fluorophenyl)methoxy]-3-methylbenzenesulfonamide?
The canonical SMILES for 4-[(5-chloro-2-fluorophenyl)methoxy]-3-methylbenzenesulfonamide is Cc1cc(S(N)(=O)=O)ccc1OCc1cc(Cl)ccc1F.
What is the InChIKey of 4-[(5-chloro-2-fluorophenyl)methoxy]-3-methylbenzenesulfonamide?
The InChIKey is AULYIHINKBGTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO3S/c1-9-6-12(21(17,18)19)3-5-14(9)20-8-10-7-11(15)2-4-13(10)16/h2-7H,8H2,1H3,(H2,17,18,19).
What are the key properties of 4-[(5-chloro-2-fluorophenyl)methoxy]-3-methylbenzenesulfonamide?
4-[(5-chloro-2-fluorophenyl)methoxy]-3-methylbenzenesulfonamide has a molecular weight of 329.78 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-fluorophenyl)methoxy]-3-methylbenzenesulfonamide is sourced from PubChem (CID 103047117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).