3-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxy-5-[(3R)-3-methoxypyrrolidine-1-carbonyl]benzenesulfonamide

C24H22ClFN2O5S — CID 146545766

IUPAC3-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxy-5-[(3R)-3-methoxypyrrolidine-1-carbonyl]benzenesulfonamide
SMILESCO[C@@H]1CCN(C(=O)c2cc(Cl)c(O)c(S(=O)(=O)Nc3cc(-c4ccccc4)ccc3F)c2)C1
InChIInChI=1S/C24H22ClFN2O5S/c1-33-18-9-10-28(14-18)24(30)17-11-19(25)23(29)22(13-17)34(31,32)27-21-12-16(7-8-20(21)26)15-5-3-2-4-6-15/h2-8,11-13,18,27,29H,9-10,14H2,1H3/t18-/m1/s1
InChIKeyODSANRSVBKXXMU-GOSISDBHSA-N
MW504.97 g/mol
LogP4.51
Rot. Bonds6

About 3-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxy-5-[(3R)-3-methoxypyrrolidine-1-carbonyl]benzenesulfonamide

3-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxy-5-[(3R)-3-methoxypyrrolidine-1-carbonyl]benzenesulfonamide (PubChem CID 146545766) has the molecular formula C24H22ClFN2O5S and a molecular weight of 504.97 g/mol. Its IUPAC name is 3-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxy-5-[(3R)-3-methoxypyrrolidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxy-5-[(3R)-3-methoxypyrrolidine-1-carbonyl]benzenesulfonamide
PubChem CID146545766
Molecular FormulaC24H22ClFN2O5S
Molecular Weight504.97 g/mol
Exact Mass504.09
IUPAC Name3-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxy-5-[(3R)-3-methoxypyrrolidine-1-carbonyl]benzenesulfonamide
SMILESCO[C@@H]1CCN(C(=O)c2cc(Cl)c(O)c(S(=O)(=O)Nc3cc(-c4ccccc4)ccc3F)c2)C1
InChIInChI=1S/C24H22ClFN2O5S/c1-33-18-9-10-28(14-18)24(30)17-11-19(25)23(29)22(13-17)34(31,32)27-21-12-16(7-8-20(21)26)15-5-3-2-4-6-15/h2-8,11-13,18,27,29H,9-10,14H2,1H3/t18-/m1/s1
InChIKeyODSANRSVBKXXMU-GOSISDBHSA-N
XLogP4.51
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.97
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxy-5-[(3R)-3-methoxypyrrolidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxy-5-[(3R)-3-methoxypyrrolidine-1-carbonyl]benzenesulfonamide (CID 146545766) is 3-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxy-5-[(3R)-3-methoxypyrrolidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxy-5-[(3R)-3-methoxypyrrolidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxy-5-[(3R)-3-methoxypyrrolidine-1-carbonyl]benzenesulfonamide is CO[C@@H]1CCN(C(=O)c2cc(Cl)c(O)c(S(=O)(=O)Nc3cc(-c4ccccc4)ccc3F)c2)C1.
What is the InChIKey of 3-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxy-5-[(3R)-3-methoxypyrrolidine-1-carbonyl]benzenesulfonamide?
The InChIKey is ODSANRSVBKXXMU-GOSISDBHSA-N. The full InChI is InChI=1S/C24H22ClFN2O5S/c1-33-18-9-10-28(14-18)24(30)17-11-19(25)23(29)22(13-17)34(31,32)27-21-12-16(7-8-20(21)26)15-5-3-2-4-6-15/h2-8,11-13,18,27,29H,9-10,14H2,1H3/t18-/m1/s1.
What are the key properties of 3-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxy-5-[(3R)-3-methoxypyrrolidine-1-carbonyl]benzenesulfonamide?
3-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxy-5-[(3R)-3-methoxypyrrolidine-1-carbonyl]benzenesulfonamide has a molecular weight of 504.97 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxy-5-[(3R)-3-methoxypyrrolidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 146545766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).