N-[2-(3-chloro-4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-5-yl]benzamide

C19H18ClFN2O3S — CID 156601648

IUPACN-[2-(3-chloro-4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-5-yl]benzamide
SMILESO=C(NC1CC2CC1CN2S(=O)(=O)c1ccc(F)c(Cl)c1)c1ccccc1
InChIInChI=1S/C19H18ClFN2O3S/c20-16-10-15(6-7-17(16)21)27(25,26)23-11-13-8-14(23)9-18(13)22-19(24)12-4-2-1-3-5-12/h1-7,10,13-14,18H,8-9,11H2,(H,22,24)
InChIKeyHQVXITDPEFFNBH-UHFFFAOYSA-N
MW408.88 g/mol
LogP3.06
Rot. Bonds4

About N-[2-(3-chloro-4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-5-yl]benzamide

N-[2-(3-chloro-4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-5-yl]benzamide (PubChem CID 156601648) has the molecular formula C19H18ClFN2O3S and a molecular weight of 408.88 g/mol. Its IUPAC name is N-[2-(3-chloro-4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-5-yl]benzamide.

Molecular Properties

Compound NameN-[2-(3-chloro-4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-5-yl]benzamide
PubChem CID156601648
Molecular FormulaC19H18ClFN2O3S
Molecular Weight408.88 g/mol
Exact Mass408.07
IUPAC NameN-[2-(3-chloro-4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-5-yl]benzamide
SMILESO=C(NC1CC2CC1CN2S(=O)(=O)c1ccc(F)c(Cl)c1)c1ccccc1
InChIInChI=1S/C19H18ClFN2O3S/c20-16-10-15(6-7-17(16)21)27(25,26)23-11-13-8-14(23)9-18(13)22-19(24)12-4-2-1-3-5-12/h1-7,10,13-14,18H,8-9,11H2,(H,22,24)
InChIKeyHQVXITDPEFFNBH-UHFFFAOYSA-N
XLogP3.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.88
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(3-chloro-4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-5-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-[[(3-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-4-fluorobenzamide
CID 155529361
3-chloro-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 984480
3-chloro-4-fluoro-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 984858
4-Fluoro-N-[1-(4-fluoro-benzenesulfonyl)-piperidin-4-yl]-benzamide
CID 9821220
N-[2-(3-chlorophenyl)ethyl]-4-[4-(prop-2-enoylamino)piperidin-1-yl]sulfonylbenzamide
CID 71451231
N-[2-(4-chlorophenyl)ethyl]-4-[4-(prop-2-enoylamino)piperidin-1-yl]sulfonylbenzamide
CID 71460264
3-chloro-N-[4-(1-pyrrolidinylcarbonyl)benzyl]benzenesulfonamide
CID 2214845
4-chloro-N-cyclohexyl-3-(pyrrolidin-1-ylsulfonyl)benzamide
CID 2623606
4-Fluoro-N-[1-(3-fluoro-benzenesulfonyl)-piperidin-4-yl]-benzamide
CID 3218816
N-[2-(4-chlorophenyl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 8362560
4-[(3-Chlorophenylsulfonamido)methyl]-N-cycloheptylbenzamide
CID 45270351
4-[(3-Chlorophenylsulfonamido)methyl]-N-cyclopentylbenzamide
CID 45272909

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-5-yl]benzamide?
The IUPAC name of N-[2-(3-chloro-4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-5-yl]benzamide (CID 156601648) is N-[2-(3-chloro-4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-5-yl]benzamide.
What is the SMILES notation for N-[2-(3-chloro-4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-5-yl]benzamide?
The canonical SMILES for N-[2-(3-chloro-4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-5-yl]benzamide is O=C(NC1CC2CC1CN2S(=O)(=O)c1ccc(F)c(Cl)c1)c1ccccc1.
What is the InChIKey of N-[2-(3-chloro-4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-5-yl]benzamide?
The InChIKey is HQVXITDPEFFNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O3S/c20-16-10-15(6-7-17(16)21)27(25,26)23-11-13-8-14(23)9-18(13)22-19(24)12-4-2-1-3-5-12/h1-7,10,13-14,18H,8-9,11H2,(H,22,24).
What are the key properties of N-[2-(3-chloro-4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-5-yl]benzamide?
N-[2-(3-chloro-4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-5-yl]benzamide has a molecular weight of 408.88 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-5-yl]benzamide is sourced from PubChem (CID 156601648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).