N-cyclopropylsulfonyl-1-(2,6-difluorobenzoyl)-3-methylpyrrolidine-3-carboxamide

C16H18F2N2O4S — CID 46948108

IUPACN-cyclopropylsulfonyl-1-(2,6-difluorobenzoyl)-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(=O)NS(=O)(=O)C2CC2)CCN(C(=O)c2c(F)cccc2F)C1
InChIInChI=1S/C16H18F2N2O4S/c1-16(15(22)19-25(23,24)10-5-6-10)7-8-20(9-16)14(21)13-11(17)3-2-4-12(13)18/h2-4,10H,5-9H2,1H3,(H,19,22)
InChIKeyOKMGPUIDWSCNNP-UHFFFAOYSA-N
MW372.39 g/mol
LogP1.43
Rot. Bonds4

About N-cyclopropylsulfonyl-1-(2,6-difluorobenzoyl)-3-methylpyrrolidine-3-carboxamide

N-cyclopropylsulfonyl-1-(2,6-difluorobenzoyl)-3-methylpyrrolidine-3-carboxamide (PubChem CID 46948108) has the molecular formula C16H18F2N2O4S and a molecular weight of 372.39 g/mol. Its IUPAC name is N-cyclopropylsulfonyl-1-(2,6-difluorobenzoyl)-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropylsulfonyl-1-(2,6-difluorobenzoyl)-3-methylpyrrolidine-3-carboxamide
PubChem CID46948108
Molecular FormulaC16H18F2N2O4S
Molecular Weight372.39 g/mol
Exact Mass372.10
IUPAC NameN-cyclopropylsulfonyl-1-(2,6-difluorobenzoyl)-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(=O)NS(=O)(=O)C2CC2)CCN(C(=O)c2c(F)cccc2F)C1
InChIInChI=1S/C16H18F2N2O4S/c1-16(15(22)19-25(23,24)10-5-6-10)7-8-20(9-16)14(21)13-11(17)3-2-4-12(13)18/h2-4,10H,5-9H2,1H3,(H,19,22)
InChIKeyOKMGPUIDWSCNNP-UHFFFAOYSA-N
XLogP1.43
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropylsulfonyl-1-(2,6-difluorobenzoyl)-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-cyclopropylsulfonyl-1-(2,6-difluorobenzoyl)-3-methylpyrrolidine-3-carboxamide (CID 46948108) is N-cyclopropylsulfonyl-1-(2,6-difluorobenzoyl)-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-cyclopropylsulfonyl-1-(2,6-difluorobenzoyl)-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-cyclopropylsulfonyl-1-(2,6-difluorobenzoyl)-3-methylpyrrolidine-3-carboxamide is CC1(C(=O)NS(=O)(=O)C2CC2)CCN(C(=O)c2c(F)cccc2F)C1.
What is the InChIKey of N-cyclopropylsulfonyl-1-(2,6-difluorobenzoyl)-3-methylpyrrolidine-3-carboxamide?
The InChIKey is OKMGPUIDWSCNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O4S/c1-16(15(22)19-25(23,24)10-5-6-10)7-8-20(9-16)14(21)13-11(17)3-2-4-12(13)18/h2-4,10H,5-9H2,1H3,(H,19,22).
What are the key properties of N-cyclopropylsulfonyl-1-(2,6-difluorobenzoyl)-3-methylpyrrolidine-3-carboxamide?
N-cyclopropylsulfonyl-1-(2,6-difluorobenzoyl)-3-methylpyrrolidine-3-carboxamide has a molecular weight of 372.39 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylsulfonyl-1-(2,6-difluorobenzoyl)-3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 46948108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).