N-[(4-chlorophenyl)methyl]-N-[3-[(3R)-3-fluoropyrrolidine-1-carbonyl]phenyl]pyridine-3-sulfonamide

C23H21ClFN3O3S — CID 66648177

IUPACN-[(4-chlorophenyl)methyl]-N-[3-[(3R)-3-fluoropyrrolidine-1-carbonyl]phenyl]pyridine-3-sulfonamide
SMILESO=C(c1cccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2cccnc2)c1)N1CC[C@@H](F)C1
InChIInChI=1S/C23H21ClFN3O3S/c24-19-8-6-17(7-9-19)15-28(32(30,31)22-5-2-11-26-14-22)21-4-1-3-18(13-21)23(29)27-12-10-20(25)16-27/h1-9,11,13-14,20H,10,12,15-16H2/t20-/m1/s1
InChIKeyYYPZAHAONSQZDP-HXUWFJFHSA-N
MW473.96 g/mol
LogP4.31
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-N-[3-[(3R)-3-fluoropyrrolidine-1-carbonyl]phenyl]pyridine-3-sulfonamide

N-[(4-chlorophenyl)methyl]-N-[3-[(3R)-3-fluoropyrrolidine-1-carbonyl]phenyl]pyridine-3-sulfonamide (PubChem CID 66648177) has the molecular formula C23H21ClFN3O3S and a molecular weight of 473.96 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-[3-[(3R)-3-fluoropyrrolidine-1-carbonyl]phenyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-[3-[(3R)-3-fluoropyrrolidine-1-carbonyl]phenyl]pyridine-3-sulfonamide
PubChem CID66648177
Molecular FormulaC23H21ClFN3O3S
Molecular Weight473.96 g/mol
Exact Mass473.10
IUPAC NameN-[(4-chlorophenyl)methyl]-N-[3-[(3R)-3-fluoropyrrolidine-1-carbonyl]phenyl]pyridine-3-sulfonamide
SMILESO=C(c1cccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2cccnc2)c1)N1CC[C@@H](F)C1
InChIInChI=1S/C23H21ClFN3O3S/c24-19-8-6-17(7-9-19)15-28(32(30,31)22-5-2-11-26-14-22)21-4-1-3-18(13-21)23(29)27-12-10-20(25)16-27/h1-9,11,13-14,20H,10,12,15-16H2/t20-/m1/s1
InChIKeyYYPZAHAONSQZDP-HXUWFJFHSA-N
XLogP4.31
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.96
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-[3-[(3R)-3-fluoropyrrolidine-1-carbonyl]phenyl]pyridine-3-sulfonamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-[3-[(3R)-3-fluoropyrrolidine-1-carbonyl]phenyl]pyridine-3-sulfonamide (CID 66648177) is N-[(4-chlorophenyl)methyl]-N-[3-[(3R)-3-fluoropyrrolidine-1-carbonyl]phenyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-[3-[(3R)-3-fluoropyrrolidine-1-carbonyl]phenyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-[3-[(3R)-3-fluoropyrrolidine-1-carbonyl]phenyl]pyridine-3-sulfonamide is O=C(c1cccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2cccnc2)c1)N1CC[C@@H](F)C1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-[3-[(3R)-3-fluoropyrrolidine-1-carbonyl]phenyl]pyridine-3-sulfonamide?
The InChIKey is YYPZAHAONSQZDP-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H21ClFN3O3S/c24-19-8-6-17(7-9-19)15-28(32(30,31)22-5-2-11-26-14-22)21-4-1-3-18(13-21)23(29)27-12-10-20(25)16-27/h1-9,11,13-14,20H,10,12,15-16H2/t20-/m1/s1.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-[3-[(3R)-3-fluoropyrrolidine-1-carbonyl]phenyl]pyridine-3-sulfonamide?
N-[(4-chlorophenyl)methyl]-N-[3-[(3R)-3-fluoropyrrolidine-1-carbonyl]phenyl]pyridine-3-sulfonamide has a molecular weight of 473.96 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-[3-[(3R)-3-fluoropyrrolidine-1-carbonyl]phenyl]pyridine-3-sulfonamide is sourced from PubChem (CID 66648177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).