4-[(1R,3R)-3-[(5-fluoro-2-methoxyphenoxy)methyl]-2,2-dimethylcyclopropyl]benzenesulfonamide

C19H22FNO4S — CID 129160441

IUPAC4-[(1R,3R)-3-[(5-fluoro-2-methoxyphenoxy)methyl]-2,2-dimethylcyclopropyl]benzenesulfonamide
SMILESCOc1ccc(F)cc1OC[C@@H]1[C@@H](c2ccc(S(N)(=O)=O)cc2)C1(C)C
InChIInChI=1S/C19H22FNO4S/c1-19(2)15(11-25-17-10-13(20)6-9-16(17)24-3)18(19)12-4-7-14(8-5-12)26(21,22)23/h4-10,15,18H,11H2,1-3H3,(H2,21,22,23)/t15-,18-/m1/s1
InChIKeyWKVOLZOQVMVRKM-CRAIPNDOSA-N
MW379.45 g/mol
LogP3.30
Rot. Bonds6

About 4-[(1R,3R)-3-[(5-fluoro-2-methoxyphenoxy)methyl]-2,2-dimethylcyclopropyl]benzenesulfonamide

4-[(1R,3R)-3-[(5-fluoro-2-methoxyphenoxy)methyl]-2,2-dimethylcyclopropyl]benzenesulfonamide (PubChem CID 129160441) has the molecular formula C19H22FNO4S and a molecular weight of 379.45 g/mol. Its IUPAC name is 4-[(1R,3R)-3-[(5-fluoro-2-methoxyphenoxy)methyl]-2,2-dimethylcyclopropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(1R,3R)-3-[(5-fluoro-2-methoxyphenoxy)methyl]-2,2-dimethylcyclopropyl]benzenesulfonamide
PubChem CID129160441
Molecular FormulaC19H22FNO4S
Molecular Weight379.45 g/mol
Exact Mass379.13
IUPAC Name4-[(1R,3R)-3-[(5-fluoro-2-methoxyphenoxy)methyl]-2,2-dimethylcyclopropyl]benzenesulfonamide
SMILESCOc1ccc(F)cc1OC[C@@H]1[C@@H](c2ccc(S(N)(=O)=O)cc2)C1(C)C
InChIInChI=1S/C19H22FNO4S/c1-19(2)15(11-25-17-10-13(20)6-9-16(17)24-3)18(19)12-4-7-14(8-5-12)26(21,22)23/h4-10,15,18H,11H2,1-3H3,(H2,21,22,23)/t15-,18-/m1/s1
InChIKeyWKVOLZOQVMVRKM-CRAIPNDOSA-N
XLogP3.30
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R,3R)-3-[(5-fluoro-2-methoxyphenoxy)methyl]-2,2-dimethylcyclopropyl]benzenesulfonamide?
The IUPAC name of 4-[(1R,3R)-3-[(5-fluoro-2-methoxyphenoxy)methyl]-2,2-dimethylcyclopropyl]benzenesulfonamide (CID 129160441) is 4-[(1R,3R)-3-[(5-fluoro-2-methoxyphenoxy)methyl]-2,2-dimethylcyclopropyl]benzenesulfonamide.
What is the SMILES notation for 4-[(1R,3R)-3-[(5-fluoro-2-methoxyphenoxy)methyl]-2,2-dimethylcyclopropyl]benzenesulfonamide?
The canonical SMILES for 4-[(1R,3R)-3-[(5-fluoro-2-methoxyphenoxy)methyl]-2,2-dimethylcyclopropyl]benzenesulfonamide is COc1ccc(F)cc1OC[C@@H]1[C@@H](c2ccc(S(N)(=O)=O)cc2)C1(C)C.
What is the InChIKey of 4-[(1R,3R)-3-[(5-fluoro-2-methoxyphenoxy)methyl]-2,2-dimethylcyclopropyl]benzenesulfonamide?
The InChIKey is WKVOLZOQVMVRKM-CRAIPNDOSA-N. The full InChI is InChI=1S/C19H22FNO4S/c1-19(2)15(11-25-17-10-13(20)6-9-16(17)24-3)18(19)12-4-7-14(8-5-12)26(21,22)23/h4-10,15,18H,11H2,1-3H3,(H2,21,22,23)/t15-,18-/m1/s1.
What are the key properties of 4-[(1R,3R)-3-[(5-fluoro-2-methoxyphenoxy)methyl]-2,2-dimethylcyclopropyl]benzenesulfonamide?
4-[(1R,3R)-3-[(5-fluoro-2-methoxyphenoxy)methyl]-2,2-dimethylcyclopropyl]benzenesulfonamide has a molecular weight of 379.45 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,3R)-3-[(5-fluoro-2-methoxyphenoxy)methyl]-2,2-dimethylcyclopropyl]benzenesulfonamide is sourced from PubChem (CID 129160441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).