4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide

C15H20F3N3O3S — CID 120777238

IUPAC4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC1(CN)CCN(S(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)C1
InChIInChI=1S/C15H20F3N3O3S/c1-14(8-19)6-7-21(10-14)25(23,24)12-4-2-11(3-5-12)13(22)20-9-15(16,17)18/h2-5H,6-10,19H2,1H3,(H,20,22)
InChIKeyOZUHXULXHZTPMX-UHFFFAOYSA-N
MW379.40 g/mol
LogP1.34
Rot. Bonds5

About 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide

4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 120777238) has the molecular formula C15H20F3N3O3S and a molecular weight of 379.40 g/mol. Its IUPAC name is 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID120777238
Molecular FormulaC15H20F3N3O3S
Molecular Weight379.40 g/mol
Exact Mass379.12
IUPAC Name4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC1(CN)CCN(S(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)C1
InChIInChI=1S/C15H20F3N3O3S/c1-14(8-19)6-7-21(10-14)25(23,24)12-4-2-11(3-5-12)13(22)20-9-15(16,17)18/h2-5H,6-10,19H2,1H3,(H,20,22)
InChIKeyOZUHXULXHZTPMX-UHFFFAOYSA-N
XLogP1.34
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-Diflouro-Benzyl)-4-Sulfamoyl-Benzamide
CID 4288
N-(2-Flouro-Benzyl)-4-Sulfamoyl-Benzamide
CID 4290
N-(2,3,4,5,6-Pentaflouro-Benzyl)-4-Sulfamoyl-Benzamide
CID 445770
4-(Aminosulfonyl)-N-[(2,3,4-Trifluorophenyl)Methyl]-Benzamide
CID 446240
N-(2,3-Difluoro-benzyl)-4-sulfamoyl-benzamide
CID 1700
N-benzyl-4-sulfamoylbenzamide
CID 4347
4-(Aminosulfonyl)-N-((4-Fluorophenyl)Methyl)-Benzamide
CID 446237
N-methyl-4-sulfamoylbenzamide
CID 4093508
N-prop-2-ynyl-4-sulfamoyl-benzamide
CID 11851424
4-(Aminosulfonyl)-N-[(2,4-Difluorophenyl)Methyl]-Benzamide
CID 446238
4-(Aminosulfonyl)-N-[(2,5-Difluorophenyl)Methyl]-Benzamide
CID 446239
4-(Aminosulfonyl)-N-((2,4,6-Trifluorophenyl)Methyl)-Benzamide
CID 446241

Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide (CID 120777238) is 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide is CC1(CN)CCN(S(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)C1.
What is the InChIKey of 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is OZUHXULXHZTPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O3S/c1-14(8-19)6-7-21(10-14)25(23,24)12-4-2-11(3-5-12)13(22)20-9-15(16,17)18/h2-5H,6-10,19H2,1H3,(H,20,22).
What are the key properties of 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide?
4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 379.40 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 120777238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).