3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride

C19H23ClFN3O3S — CID 119552441

IUPAC3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(C)C3CCNC3)c2)cc1F.Cl
InChIInChI=1S/C19H22FN3O3S.ClH/c1-13-6-7-17(11-18(13)20)27(25,26)22-15-5-3-4-14(10-15)19(24)23(2)16-8-9-21-12-16;/h3-7,10-11,16,21-22H,8-9,12H2,1-2H3;1H
InChIKeyPFFKKHYLOXAGRV-UHFFFAOYSA-N
MW427.93 g/mol
LogP2.79
Rot. Bonds5

About 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride

3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride (PubChem CID 119552441) has the molecular formula C19H23ClFN3O3S and a molecular weight of 427.93 g/mol. Its IUPAC name is 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
PubChem CID119552441
Molecular FormulaC19H23ClFN3O3S
Molecular Weight427.93 g/mol
Exact Mass427.11
IUPAC Name3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(C)C3CCNC3)c2)cc1F.Cl
InChIInChI=1S/C19H22FN3O3S.ClH/c1-13-6-7-17(11-18(13)20)27(25,26)22-15-5-3-4-14(10-15)19(24)23(2)16-8-9-21-12-16;/h3-7,10-11,16,21-22H,8-9,12H2,1-2H3;1H
InChIKeyPFFKKHYLOXAGRV-UHFFFAOYSA-N
XLogP2.79
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.93
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119452000
4-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119550537
N-[2-[cyclohexyl(methyl)amino]ethyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methylbenzamide
CID 60579589
N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]-N-pyrrolidin-3-ylbenzamide
CID 119554301
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N,N-bis(prop-2-enyl)benzamide
CID 78784405
3-fluoro-N,4-dimethyl-N-piperidin-3-ylbenzamide
CID 60807217
3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60805996
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119553054
3-fluoro-4-methyl-N-[3-(piperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 119402039
3-[(3,4-difluorophenyl)sulfonylamino]-N-piperidin-3-ylbenzamide;hydrochloride
CID 119427476
N,4-dimethyl-N-pyrrolidin-3-yl-3-sulfamoylbenzamide;hydrochloride
CID 154750787
N,3,4-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554368

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride (CID 119552441) is 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride is Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(C)C3CCNC3)c2)cc1F.Cl.
What is the InChIKey of 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The InChIKey is PFFKKHYLOXAGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3S.ClH/c1-13-6-7-17(11-18(13)20)27(25,26)22-15-5-3-4-14(10-15)19(24)23(2)16-8-9-21-12-16;/h3-7,10-11,16,21-22H,8-9,12H2,1-2H3;1H.
What are the key properties of 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride has a molecular weight of 427.93 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119552441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).