N-[4-[1-[[4-(difluoromethoxy)phenyl]sulfonylamino]propan-2-yl]phenyl]pyridine-4-carboxamide

C22H21F2N3O4S — CID 91800770

IUPACN-[4-[1-[[4-(difluoromethoxy)phenyl]sulfonylamino]propan-2-yl]phenyl]pyridine-4-carboxamide
SMILESCC(CNS(=O)(=O)c1ccc(OC(F)F)cc1)c1ccc(NC(=O)c2ccncc2)cc1
InChIInChI=1S/C22H21F2N3O4S/c1-15(14-26-32(29,30)20-8-6-19(7-9-20)31-22(23)24)16-2-4-18(5-3-16)27-21(28)17-10-12-25-13-11-17/h2-13,15,22,26H,14H2,1H3,(H,27,28)
InChIKeyMALHKFAJHOWPKW-UHFFFAOYSA-N
MW461.49 g/mol
LogP4.02
Rot. Bonds9

About N-[4-[1-[[4-(difluoromethoxy)phenyl]sulfonylamino]propan-2-yl]phenyl]pyridine-4-carboxamide

N-[4-[1-[[4-(difluoromethoxy)phenyl]sulfonylamino]propan-2-yl]phenyl]pyridine-4-carboxamide (PubChem CID 91800770) has the molecular formula C22H21F2N3O4S and a molecular weight of 461.49 g/mol. Its IUPAC name is N-[4-[1-[[4-(difluoromethoxy)phenyl]sulfonylamino]propan-2-yl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[1-[[4-(difluoromethoxy)phenyl]sulfonylamino]propan-2-yl]phenyl]pyridine-4-carboxamide
PubChem CID91800770
Molecular FormulaC22H21F2N3O4S
Molecular Weight461.49 g/mol
Exact Mass461.12
IUPAC NameN-[4-[1-[[4-(difluoromethoxy)phenyl]sulfonylamino]propan-2-yl]phenyl]pyridine-4-carboxamide
SMILESCC(CNS(=O)(=O)c1ccc(OC(F)F)cc1)c1ccc(NC(=O)c2ccncc2)cc1
InChIInChI=1S/C22H21F2N3O4S/c1-15(14-26-32(29,30)20-8-6-19(7-9-20)31-22(23)24)16-2-4-18(5-3-16)27-21(28)17-10-12-25-13-11-17/h2-13,15,22,26H,14H2,1H3,(H,27,28)
InChIKeyMALHKFAJHOWPKW-UHFFFAOYSA-N
XLogP4.02
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.49
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[[4-(difluoromethoxy)phenyl]sulfonylamino]propan-2-yl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[4-[1-[[4-(difluoromethoxy)phenyl]sulfonylamino]propan-2-yl]phenyl]pyridine-4-carboxamide (CID 91800770) is N-[4-[1-[[4-(difluoromethoxy)phenyl]sulfonylamino]propan-2-yl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-[1-[[4-(difluoromethoxy)phenyl]sulfonylamino]propan-2-yl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-[1-[[4-(difluoromethoxy)phenyl]sulfonylamino]propan-2-yl]phenyl]pyridine-4-carboxamide is CC(CNS(=O)(=O)c1ccc(OC(F)F)cc1)c1ccc(NC(=O)c2ccncc2)cc1.
What is the InChIKey of N-[4-[1-[[4-(difluoromethoxy)phenyl]sulfonylamino]propan-2-yl]phenyl]pyridine-4-carboxamide?
The InChIKey is MALHKFAJHOWPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N3O4S/c1-15(14-26-32(29,30)20-8-6-19(7-9-20)31-22(23)24)16-2-4-18(5-3-16)27-21(28)17-10-12-25-13-11-17/h2-13,15,22,26H,14H2,1H3,(H,27,28).
What are the key properties of N-[4-[1-[[4-(difluoromethoxy)phenyl]sulfonylamino]propan-2-yl]phenyl]pyridine-4-carboxamide?
N-[4-[1-[[4-(difluoromethoxy)phenyl]sulfonylamino]propan-2-yl]phenyl]pyridine-4-carboxamide has a molecular weight of 461.49 g/mol, XLogP of 4.02, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[[4-(difluoromethoxy)phenyl]sulfonylamino]propan-2-yl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 91800770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).