3-(2-aminoethyl)-4-(3-chloro-4-fluorophenoxy)benzenesulfonamide

C14H14ClFN2O3S — CID 154573621

IUPAC3-(2-aminoethyl)-4-(3-chloro-4-fluorophenoxy)benzenesulfonamide
SMILESNCCc1cc(S(N)(=O)=O)ccc1Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H14ClFN2O3S/c15-12-8-10(1-3-13(12)16)21-14-4-2-11(22(18,19)20)7-9(14)5-6-17/h1-4,7-8H,5-6,17H2,(H2,18,19,20)
InChIKeyWDVWTPNEVTYLQC-UHFFFAOYSA-N
MW344.80 g/mol
LogP2.42
Rot. Bonds5

About 3-(2-aminoethyl)-4-(3-chloro-4-fluorophenoxy)benzenesulfonamide

3-(2-aminoethyl)-4-(3-chloro-4-fluorophenoxy)benzenesulfonamide (PubChem CID 154573621) has the molecular formula C14H14ClFN2O3S and a molecular weight of 344.80 g/mol. Its IUPAC name is 3-(2-aminoethyl)-4-(3-chloro-4-fluorophenoxy)benzenesulfonamide.

Molecular Properties

Compound Name3-(2-aminoethyl)-4-(3-chloro-4-fluorophenoxy)benzenesulfonamide
PubChem CID154573621
Molecular FormulaC14H14ClFN2O3S
Molecular Weight344.80 g/mol
Exact Mass344.04
IUPAC Name3-(2-aminoethyl)-4-(3-chloro-4-fluorophenoxy)benzenesulfonamide
SMILESNCCc1cc(S(N)(=O)=O)ccc1Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H14ClFN2O3S/c15-12-8-10(1-3-13(12)16)21-14-4-2-11(22(18,19)20)7-9(14)5-6-17/h1-4,7-8H,5-6,17H2,(H2,18,19,20)
InChIKeyWDVWTPNEVTYLQC-UHFFFAOYSA-N
XLogP2.42
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,4-dichlorophenoxy)benzenesulfonamide
CID 43342686
2-[4-bromo-2-(3-chloro-4-fluorophenoxy)phenyl]ethanamine
CID 63880236
2-[5-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]ethanamine
CID 114863101
2-[2-(3,4-dichlorophenoxy)-5-methylsulfinylphenyl]ethanamine
CID 141036025
2-chloro-4-(3-chloro-4-fluorophenoxy)-1-fluorobenzene
CID 69010329
3-chloro-4-(2,5-difluorophenoxy)benzenesulfonamide
CID 63268736
2-[5-chloro-2-(2-chloro-4-fluorophenoxy)phenyl]ethanamine
CID 114862601
4-amino-3-(3-bromo-4-fluorophenoxy)benzenesulfonamide
CID 83231994
[5-chloro-2-(3,4-difluorophenoxy)phenyl]methanamine
CID 62493344
4-(4,5-difluoro-2-methylphenoxy)benzenesulfonamide
CID 114276763
2-[3-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 106533476
2-[5-chloro-2-(4-ethoxyphenoxy)phenyl]ethanamine
CID 114862746

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-4-(3-chloro-4-fluorophenoxy)benzenesulfonamide?
The IUPAC name of 3-(2-aminoethyl)-4-(3-chloro-4-fluorophenoxy)benzenesulfonamide (CID 154573621) is 3-(2-aminoethyl)-4-(3-chloro-4-fluorophenoxy)benzenesulfonamide.
What is the SMILES notation for 3-(2-aminoethyl)-4-(3-chloro-4-fluorophenoxy)benzenesulfonamide?
The canonical SMILES for 3-(2-aminoethyl)-4-(3-chloro-4-fluorophenoxy)benzenesulfonamide is NCCc1cc(S(N)(=O)=O)ccc1Oc1ccc(F)c(Cl)c1.
What is the InChIKey of 3-(2-aminoethyl)-4-(3-chloro-4-fluorophenoxy)benzenesulfonamide?
The InChIKey is WDVWTPNEVTYLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O3S/c15-12-8-10(1-3-13(12)16)21-14-4-2-11(22(18,19)20)7-9(14)5-6-17/h1-4,7-8H,5-6,17H2,(H2,18,19,20).
What are the key properties of 3-(2-aminoethyl)-4-(3-chloro-4-fluorophenoxy)benzenesulfonamide?
3-(2-aminoethyl)-4-(3-chloro-4-fluorophenoxy)benzenesulfonamide has a molecular weight of 344.80 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-4-(3-chloro-4-fluorophenoxy)benzenesulfonamide is sourced from PubChem (CID 154573621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).