3-[(3,4-difluorophenyl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)benzamide

C18H19F2N3O3S — CID 119513016

IUPAC3-[(3,4-difluorophenyl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCN1)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C18H19F2N3O3S/c19-16-7-6-15(10-17(16)20)27(25,26)23-13-4-1-3-12(9-13)18(24)22-11-14-5-2-8-21-14/h1,3-4,6-7,9-10,14,21,23H,2,5,8,11H2,(H,22,24)
InChIKeyHACMFHRZZQNITP-UHFFFAOYSA-N
MW395.43 g/mol
LogP2.25
Rot. Bonds6

About 3-[(3,4-difluorophenyl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)benzamide

3-[(3,4-difluorophenyl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 119513016) has the molecular formula C18H19F2N3O3S and a molecular weight of 395.43 g/mol. Its IUPAC name is 3-[(3,4-difluorophenyl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[(3,4-difluorophenyl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID119513016
Molecular FormulaC18H19F2N3O3S
Molecular Weight395.43 g/mol
Exact Mass395.11
IUPAC Name3-[(3,4-difluorophenyl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCN1)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C18H19F2N3O3S/c19-16-7-6-15(10-17(16)20)27(25,26)23-13-4-1-3-12(9-13)18(24)22-11-14-5-2-8-21-14/h1,3-4,6-7,9-10,14,21,23H,2,5,8,11H2,(H,22,24)
InChIKeyHACMFHRZZQNITP-UHFFFAOYSA-N
XLogP2.25
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-chlorophenyl)sulfamoyl]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513853
3-[(2-fluorophenyl)sulfamoyl]-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119511835
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119511031
3-[(3,4-difluorophenyl)sulfonylamino]-N-piperidin-3-ylbenzamide;hydrochloride
CID 119427476
4-[(4-fluorophenyl)sulfamoyl]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119510406
3-(cyclopentylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119509919
3-(propan-2-ylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513593
3-(4-fluorophenyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;hydrochloride
CID 154911098
3-[(2-methylcyclopropanecarbonyl)amino]-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513177
3,4-difluoro-N-[3-(3-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide;hydrochloride
CID 119579238
N-[3-(4-aminopiperidine-1-carbonyl)phenyl]-3,4-difluorobenzenesulfonamide
CID 119375503
N-(3-aminophenyl)-3,4-difluorobenzenesulfonamide
CID 43167024

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-difluorophenyl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of 3-[(3,4-difluorophenyl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)benzamide (CID 119513016) is 3-[(3,4-difluorophenyl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[(3,4-difluorophenyl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for 3-[(3,4-difluorophenyl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)benzamide is O=C(NCC1CCCN1)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1.
What is the InChIKey of 3-[(3,4-difluorophenyl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is HACMFHRZZQNITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O3S/c19-16-7-6-15(10-17(16)20)27(25,26)23-13-4-1-3-12(9-13)18(24)22-11-14-5-2-8-21-14/h1,3-4,6-7,9-10,14,21,23H,2,5,8,11H2,(H,22,24).
What are the key properties of 3-[(3,4-difluorophenyl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)benzamide?
3-[(3,4-difluorophenyl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 395.43 g/mol, XLogP of 2.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-difluorophenyl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 119513016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).