(2S)-2-(difluoromethyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrrolidine-1-carboxamide

C14H19F2N3O3S — CID 138049611

IUPAC(2S)-2-(difluoromethyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrrolidine-1-carboxamide
SMILESCNS(=O)(=O)c1cccc(CNC(=O)N2CCC[C@H]2C(F)F)c1
InChIInChI=1S/C14H19F2N3O3S/c1-17-23(21,22)11-5-2-4-10(8-11)9-18-14(20)19-7-3-6-12(19)13(15)16/h2,4-5,8,12-13,17H,3,6-7,9H2,1H3,(H,18,20)/t12-/m0/s1
InChIKeyOABZOBFXSJBGRI-LBPRGKRZSA-N
MW347.39 g/mol
LogP1.53
Rot. Bonds5

About (2S)-2-(difluoromethyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrrolidine-1-carboxamide

(2S)-2-(difluoromethyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrrolidine-1-carboxamide (PubChem CID 138049611) has the molecular formula C14H19F2N3O3S and a molecular weight of 347.39 g/mol. Its IUPAC name is (2S)-2-(difluoromethyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(difluoromethyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrrolidine-1-carboxamide
PubChem CID138049611
Molecular FormulaC14H19F2N3O3S
Molecular Weight347.39 g/mol
Exact Mass347.11
IUPAC Name(2S)-2-(difluoromethyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrrolidine-1-carboxamide
SMILESCNS(=O)(=O)c1cccc(CNC(=O)N2CCC[C@H]2C(F)F)c1
InChIInChI=1S/C14H19F2N3O3S/c1-17-23(21,22)11-5-2-4-10(8-11)9-18-14(20)19-7-3-6-12(19)13(15)16/h2,4-5,8,12-13,17H,3,6-7,9H2,1H3,(H,18,20)/t12-/m0/s1
InChIKeyOABZOBFXSJBGRI-LBPRGKRZSA-N
XLogP1.53
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-ethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]piperidine-1-carboxamide
CID 94031216
(2R)-2-ethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]piperidine-1-carboxamide
CID 94031215
N-[[3-(methylsulfamoyl)phenyl]methyl]azepane-1-carboxamide
CID 51084559
(3S)-3-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]morpholine-4-carboxamide
CID 94031214
2-methyl-N-[[3-(methylsulfamoylmethyl)phenyl]methyl]piperidine-1-carboxamide
CID 49262524
(2S)-2-(difluoromethyl)-N-[[2-(methanesulfonamido)phenyl]methyl]pyrrolidine-1-carboxamide
CID 138049612
(2R)-N-[[3-(methylsulfamoyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 34687941
1-(cyclopropylmethyl)-3-[[3-(methylsulfamoyl)phenyl]methyl]-1-(1-phenylethyl)urea
CID 86876562
2-(2,3-dihydro-1H-inden-5-yl)-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide
CID 34640391
N-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide
CID 34685373
1-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea
CID 38330248
N'-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]-4-phenylpiperazine-1-carboximidamide
CID 110960955

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(difluoromethyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-(difluoromethyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrrolidine-1-carboxamide (CID 138049611) is (2S)-2-(difluoromethyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(difluoromethyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(difluoromethyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrrolidine-1-carboxamide is CNS(=O)(=O)c1cccc(CNC(=O)N2CCC[C@H]2C(F)F)c1.
What is the InChIKey of (2S)-2-(difluoromethyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrrolidine-1-carboxamide?
The InChIKey is OABZOBFXSJBGRI-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19F2N3O3S/c1-17-23(21,22)11-5-2-4-10(8-11)9-18-14(20)19-7-3-6-12(19)13(15)16/h2,4-5,8,12-13,17H,3,6-7,9H2,1H3,(H,18,20)/t12-/m0/s1.
What are the key properties of (2S)-2-(difluoromethyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrrolidine-1-carboxamide?
(2S)-2-(difluoromethyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrrolidine-1-carboxamide has a molecular weight of 347.39 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(difluoromethyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 138049611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).