N-[(R)-cyano-(4-fluorophenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide

C19H18FN3O3S — CID 9246301

IUPACN-[(R)-cyano-(4-fluorophenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESN#C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(F)cc1
InChIInChI=1S/C19H18FN3O3S/c20-16-8-6-14(7-9-16)18(13-21)22-19(24)15-4-3-5-17(12-15)27(25,26)23-10-1-2-11-23/h3-9,12,18H,1-2,10-11H2,(H,22,24)/t18-/m0/s1
InChIKeyYDNVRYRKWCEVHT-SFHVURJKSA-N
MW387.44 g/mol
LogP2.60
Rot. Bonds5

About N-[(R)-cyano-(4-fluorophenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide

N-[(R)-cyano-(4-fluorophenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 9246301) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[(R)-cyano-(4-fluorophenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(R)-cyano-(4-fluorophenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID9246301
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC NameN-[(R)-cyano-(4-fluorophenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESN#C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(F)cc1
InChIInChI=1S/C19H18FN3O3S/c20-16-8-6-14(7-9-16)18(13-21)22-19(24)15-4-3-5-17(12-15)27(25,26)23-10-1-2-11-23/h3-9,12,18H,1-2,10-11H2,(H,22,24)/t18-/m0/s1
InChIKeyYDNVRYRKWCEVHT-SFHVURJKSA-N
XLogP2.60
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(R)-cyano-(4-fluorophenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide 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-benzhydryl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2420116
N-[cyano-(4-fluorophenyl)methyl]-3-methylbenzamide
CID 78631291
N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 39968266
N-[cyano-(2,4-difluorophenyl)methyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 56584610
N-[1-(4-fluorophenyl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 3295556
N-[(2S)-3-methylbutan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 92527690
3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoro-1-phenylethyl)benzamide
CID 55794713
N-[(2R)-butan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 34269316
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 46566179
3-(azepan-1-ylsulfonyl)-N-(2,5-difluorophenyl)benzamide
CID 2711406
N-[1-(4-methoxyphenyl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 53285830
N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 7719095

Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyano-(4-fluorophenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[(R)-cyano-(4-fluorophenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide (CID 9246301) is N-[(R)-cyano-(4-fluorophenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[(R)-cyano-(4-fluorophenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[(R)-cyano-(4-fluorophenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide is N#C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(F)cc1.
What is the InChIKey of N-[(R)-cyano-(4-fluorophenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is YDNVRYRKWCEVHT-SFHVURJKSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c20-16-8-6-14(7-9-16)18(13-21)22-19(24)15-4-3-5-17(12-15)27(25,26)23-10-1-2-11-23/h3-9,12,18H,1-2,10-11H2,(H,22,24)/t18-/m0/s1.
What are the key properties of N-[(R)-cyano-(4-fluorophenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
N-[(R)-cyano-(4-fluorophenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 387.44 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyano-(4-fluorophenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 9246301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).