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

C18H21ClFN3O3S — CID 119452000

IUPAC3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC3CCNC3)c2)cc1F.Cl
InChIInChI=1S/C18H20FN3O3S.ClH/c1-12-5-6-16(10-17(12)19)26(24,25)22-14-4-2-3-13(9-14)18(23)21-15-7-8-20-11-15;/h2-6,9-10,15,20,22H,7-8,11H2,1H3,(H,21,23);1H
InChIKeyLQWWSAIRGZYTNW-UHFFFAOYSA-N
MW413.90 g/mol
LogP2.45
Rot. Bonds5

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

3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-pyrrolidin-3-ylbenzamide;hydrochloride (PubChem CID 119452000) has the molecular formula C18H21ClFN3O3S and a molecular weight of 413.90 g/mol. Its IUPAC name is 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-pyrrolidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-pyrrolidin-3-ylbenzamide;hydrochloride
PubChem CID119452000
Molecular FormulaC18H21ClFN3O3S
Molecular Weight413.90 g/mol
Exact Mass413.10
IUPAC Name3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC3CCNC3)c2)cc1F.Cl
InChIInChI=1S/C18H20FN3O3S.ClH/c1-12-5-6-16(10-17(12)19)26(24,25)22-14-4-2-3-13(9-14)18(23)21-15-7-8-20-11-15;/h2-6,9-10,15,20,22H,7-8,11H2,1H3,(H,21,23);1H
InChIKeyLQWWSAIRGZYTNW-UHFFFAOYSA-N
XLogP2.45
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.90
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,4-difluorophenyl)sulfonylamino]-N-piperidin-3-ylbenzamide;hydrochloride
CID 119427476
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119552441
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450676
3-[(3-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide;hydrochloride
CID 119424807
3-fluoro-4-methyl-N-[3-(piperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 119402039
3-[(2,5-dimethylphenyl)sulfonylamino]-N-piperidin-3-ylbenzamide
CID 119428239
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)benzamide
CID 9416278
3-[(4-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide
CID 119427455
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(3-fluorophenyl)benzamide
CID 9412516
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)benzamide
CID 78794508
3-(cyclopropylsulfamoyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450174
N-(2,3-dimethylphenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 9342427

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-pyrrolidin-3-ylbenzamide;hydrochloride (CID 119452000) is 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-pyrrolidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-pyrrolidin-3-ylbenzamide;hydrochloride is Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC3CCNC3)c2)cc1F.Cl.
What is the InChIKey of 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The InChIKey is LQWWSAIRGZYTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3S.ClH/c1-12-5-6-16(10-17(12)19)26(24,25)22-14-4-2-3-13(9-14)18(23)21-15-7-8-20-11-15;/h2-6,9-10,15,20,22H,7-8,11H2,1H3,(H,21,23);1H.
What are the key properties of 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-pyrrolidin-3-ylbenzamide;hydrochloride?
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-pyrrolidin-3-ylbenzamide;hydrochloride has a molecular weight of 413.90 g/mol, XLogP of 2.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-pyrrolidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119452000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).