5-[[3-[(4-chlorophenyl)methyl]oxolan-3-yl]sulfamoyl]-N-(2,2-difluoroethyl)-2-methyl-1H-pyrrole-3-carboxamide

C19H22ClF2N3O4S — CID 166007233

IUPAC5-[[3-[(4-chlorophenyl)methyl]oxolan-3-yl]sulfamoyl]-N-(2,2-difluoroethyl)-2-methyl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(S(=O)(=O)NC2(Cc3ccc(Cl)cc3)CCOC2)cc1C(=O)NCC(F)F
InChIInChI=1S/C19H22ClF2N3O4S/c1-12-15(18(26)23-10-16(21)22)8-17(24-12)30(27,28)25-19(6-7-29-11-19)9-13-2-4-14(20)5-3-13/h2-5,8,16,24-25H,6-7,9-11H2,1H3,(H,23,26)
InChIKeyVJALGDGUODRMSK-UHFFFAOYSA-N
MW461.92 g/mol
LogP2.65
Rot. Bonds8

About 5-[[3-[(4-chlorophenyl)methyl]oxolan-3-yl]sulfamoyl]-N-(2,2-difluoroethyl)-2-methyl-1H-pyrrole-3-carboxamide

5-[[3-[(4-chlorophenyl)methyl]oxolan-3-yl]sulfamoyl]-N-(2,2-difluoroethyl)-2-methyl-1H-pyrrole-3-carboxamide (PubChem CID 166007233) has the molecular formula C19H22ClF2N3O4S and a molecular weight of 461.92 g/mol. Its IUPAC name is 5-[[3-[(4-chlorophenyl)methyl]oxolan-3-yl]sulfamoyl]-N-(2,2-difluoroethyl)-2-methyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-[[3-[(4-chlorophenyl)methyl]oxolan-3-yl]sulfamoyl]-N-(2,2-difluoroethyl)-2-methyl-1H-pyrrole-3-carboxamide
PubChem CID166007233
Molecular FormulaC19H22ClF2N3O4S
Molecular Weight461.92 g/mol
Exact Mass461.10
IUPAC Name5-[[3-[(4-chlorophenyl)methyl]oxolan-3-yl]sulfamoyl]-N-(2,2-difluoroethyl)-2-methyl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(S(=O)(=O)NC2(Cc3ccc(Cl)cc3)CCOC2)cc1C(=O)NCC(F)F
InChIInChI=1S/C19H22ClF2N3O4S/c1-12-15(18(26)23-10-16(21)22)8-17(24-12)30(27,28)25-19(6-7-29-11-19)9-13-2-4-14(20)5-3-13/h2-5,8,16,24-25H,6-7,9-11H2,1H3,(H,23,26)
InChIKeyVJALGDGUODRMSK-UHFFFAOYSA-N
XLogP2.65
TPSA100.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.92
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-[(4-chlorophenyl)methyl]oxolan-3-yl]sulfamoyl]-N-(2,2-difluoroethyl)-2-methyl-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-[[3-[(4-chlorophenyl)methyl]oxolan-3-yl]sulfamoyl]-N-(2,2-difluoroethyl)-2-methyl-1H-pyrrole-3-carboxamide (CID 166007233) is 5-[[3-[(4-chlorophenyl)methyl]oxolan-3-yl]sulfamoyl]-N-(2,2-difluoroethyl)-2-methyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-[[3-[(4-chlorophenyl)methyl]oxolan-3-yl]sulfamoyl]-N-(2,2-difluoroethyl)-2-methyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-[[3-[(4-chlorophenyl)methyl]oxolan-3-yl]sulfamoyl]-N-(2,2-difluoroethyl)-2-methyl-1H-pyrrole-3-carboxamide is Cc1[nH]c(S(=O)(=O)NC2(Cc3ccc(Cl)cc3)CCOC2)cc1C(=O)NCC(F)F.
What is the InChIKey of 5-[[3-[(4-chlorophenyl)methyl]oxolan-3-yl]sulfamoyl]-N-(2,2-difluoroethyl)-2-methyl-1H-pyrrole-3-carboxamide?
The InChIKey is VJALGDGUODRMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClF2N3O4S/c1-12-15(18(26)23-10-16(21)22)8-17(24-12)30(27,28)25-19(6-7-29-11-19)9-13-2-4-14(20)5-3-13/h2-5,8,16,24-25H,6-7,9-11H2,1H3,(H,23,26).
What are the key properties of 5-[[3-[(4-chlorophenyl)methyl]oxolan-3-yl]sulfamoyl]-N-(2,2-difluoroethyl)-2-methyl-1H-pyrrole-3-carboxamide?
5-[[3-[(4-chlorophenyl)methyl]oxolan-3-yl]sulfamoyl]-N-(2,2-difluoroethyl)-2-methyl-1H-pyrrole-3-carboxamide has a molecular weight of 461.92 g/mol, XLogP of 2.65, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[(4-chlorophenyl)methyl]oxolan-3-yl]sulfamoyl]-N-(2,2-difluoroethyl)-2-methyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 166007233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).