3-methyl-N-pyrrolidin-3-yl-4-(trifluoromethylsulfonylamino)benzamide;hydrochloride

C13H17ClF3N3O3S — CID 126789905

IUPAC3-methyl-N-pyrrolidin-3-yl-4-(trifluoromethylsulfonylamino)benzamide;hydrochloride
SMILESCc1cc(C(=O)NC2CCNC2)ccc1NS(=O)(=O)C(F)(F)F.Cl
InChIInChI=1S/C13H16F3N3O3S.ClH/c1-8-6-9(12(20)18-10-4-5-17-7-10)2-3-11(8)19-23(21,22)13(14,15)16;/h2-3,6,10,17,19H,4-5,7H2,1H3,(H,18,20);1H
InChIKeyHCHRFYHJDXHYGO-UHFFFAOYSA-N
MW387.81 g/mol
LogP1.77
Rot. Bonds4

About 3-methyl-N-pyrrolidin-3-yl-4-(trifluoromethylsulfonylamino)benzamide;hydrochloride

3-methyl-N-pyrrolidin-3-yl-4-(trifluoromethylsulfonylamino)benzamide;hydrochloride (PubChem CID 126789905) has the molecular formula C13H17ClF3N3O3S and a molecular weight of 387.81 g/mol. Its IUPAC name is 3-methyl-N-pyrrolidin-3-yl-4-(trifluoromethylsulfonylamino)benzamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-N-pyrrolidin-3-yl-4-(trifluoromethylsulfonylamino)benzamide;hydrochloride
PubChem CID126789905
Molecular FormulaC13H17ClF3N3O3S
Molecular Weight387.81 g/mol
Exact Mass387.06
IUPAC Name3-methyl-N-pyrrolidin-3-yl-4-(trifluoromethylsulfonylamino)benzamide;hydrochloride
SMILESCc1cc(C(=O)NC2CCNC2)ccc1NS(=O)(=O)C(F)(F)F.Cl
InChIInChI=1S/C13H16F3N3O3S.ClH/c1-8-6-9(12(20)18-10-4-5-17-7-10)2-3-11(8)19-23(21,22)13(14,15)16;/h2-3,6,10,17,19H,4-5,7H2,1H3,(H,18,20);1H
InChIKeyHCHRFYHJDXHYGO-UHFFFAOYSA-N
XLogP1.77
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.81
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-iodo-4-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119454037
3-bromo-4-methyl-N-pyrrolidin-3-ylbenzamide
CID 81472649
N-cyclopentyl-4-(methanesulfonamido)-3-methylbenzamide
CID 41466640
4-fluoro-3-methyl-N-[(3R)-piperidin-3-yl]benzamide
CID 95031837
4-methyl-3-nitro-N-pyrrolidin-3-ylbenzamide
CID 55068272
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450676
4-acetyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119449499
4-methyl-3-(pyrrolidin-3-ylamino)benzoic acid
CID 79731598
3-chloro-4-methyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426938
4-(cyclopropylamino)-3-nitro-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450971
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119452000
3,4-dihydroxy-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 107728777

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-pyrrolidin-3-yl-4-(trifluoromethylsulfonylamino)benzamide;hydrochloride?
The IUPAC name of 3-methyl-N-pyrrolidin-3-yl-4-(trifluoromethylsulfonylamino)benzamide;hydrochloride (CID 126789905) is 3-methyl-N-pyrrolidin-3-yl-4-(trifluoromethylsulfonylamino)benzamide;hydrochloride.
What is the SMILES notation for 3-methyl-N-pyrrolidin-3-yl-4-(trifluoromethylsulfonylamino)benzamide;hydrochloride?
The canonical SMILES for 3-methyl-N-pyrrolidin-3-yl-4-(trifluoromethylsulfonylamino)benzamide;hydrochloride is Cc1cc(C(=O)NC2CCNC2)ccc1NS(=O)(=O)C(F)(F)F.Cl.
What is the InChIKey of 3-methyl-N-pyrrolidin-3-yl-4-(trifluoromethylsulfonylamino)benzamide;hydrochloride?
The InChIKey is HCHRFYHJDXHYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O3S.ClH/c1-8-6-9(12(20)18-10-4-5-17-7-10)2-3-11(8)19-23(21,22)13(14,15)16;/h2-3,6,10,17,19H,4-5,7H2,1H3,(H,18,20);1H.
What are the key properties of 3-methyl-N-pyrrolidin-3-yl-4-(trifluoromethylsulfonylamino)benzamide;hydrochloride?
3-methyl-N-pyrrolidin-3-yl-4-(trifluoromethylsulfonylamino)benzamide;hydrochloride has a molecular weight of 387.81 g/mol, XLogP of 1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-pyrrolidin-3-yl-4-(trifluoromethylsulfonylamino)benzamide;hydrochloride is sourced from PubChem (CID 126789905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).