N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-pyrrolidin-1-ylethanesulfonamide

C22H21ClF4N4O3S — CID 126505943

IUPACN-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-pyrrolidin-1-ylethanesulfonamide
SMILESO=S(=O)(CCN1CCCC1)N(Cc1ccc(-c2nnc(C(F)F)o2)cc1F)c1ccc(F)c(Cl)c1
InChIInChI=1S/C22H21ClF4N4O3S/c23-17-12-16(5-6-18(17)24)31(35(32,33)10-9-30-7-1-2-8-30)13-15-4-3-14(11-19(15)25)21-28-29-22(34-21)20(26)27/h3-6,11-12,20H,1-2,7-10,13H2
InChIKeyPDNGKPXHGIUHJN-UHFFFAOYSA-N
MW532.95 g/mol
LogP5.04
Rot. Bonds9

About N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-pyrrolidin-1-ylethanesulfonamide

N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-pyrrolidin-1-ylethanesulfonamide (PubChem CID 126505943) has the molecular formula C22H21ClF4N4O3S and a molecular weight of 532.95 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-pyrrolidin-1-ylethanesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-pyrrolidin-1-ylethanesulfonamide
PubChem CID126505943
Molecular FormulaC22H21ClF4N4O3S
Molecular Weight532.95 g/mol
Exact Mass532.10
IUPAC NameN-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-pyrrolidin-1-ylethanesulfonamide
SMILESO=S(=O)(CCN1CCCC1)N(Cc1ccc(-c2nnc(C(F)F)o2)cc1F)c1ccc(F)c(Cl)c1
InChIInChI=1S/C22H21ClF4N4O3S/c23-17-12-16(5-6-18(17)24)31(35(32,33)10-9-30-7-1-2-8-30)13-15-4-3-14(11-19(15)25)21-28-29-22(34-21)20(26)27/h3-6,11-12,20H,1-2,7-10,13H2
InChIKeyPDNGKPXHGIUHJN-UHFFFAOYSA-N
XLogP5.04
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.95
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-pyrrolidin-1-ylethanesulfonamide 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-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-(4-methylpiperazin-1-yl)ethanesulfinamide
CID 145239246
N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-morpholin-4-ylacetamide
CID 126544353
N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-piperazin-1-ylacetamide
CID 126544959
N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]ethanesulfonamide
CID 126505989
N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-(1,1-dihydroxy-1,4-thiazinan-4-yl)acetamide
CID 134561673
1-(azetidin-3-yl)-N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]piperidine-4-sulfonamide;N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1-(1-methylsulfonylazetidin-3-yl)piperidine-4-sulfonamide
CID 158237266
N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-3-fluoropyrrolidine-1-carboxamide
CID 140894002
N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]formamide;3-fluoro-1-methylpyrrolidine
CID 169107098
N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 134561730
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(4-fluorophenyl)thiomorpholine-4-sulfonamide
CID 171514000
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(3-fluorophenyl)methanesulfonamide
CID 126507804
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-4-methylsulfonyl-N-phenylpiperazine-1-sulfonamide
CID 126508294

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-pyrrolidin-1-ylethanesulfonamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-pyrrolidin-1-ylethanesulfonamide (CID 126505943) is N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-pyrrolidin-1-ylethanesulfonamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-pyrrolidin-1-ylethanesulfonamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-pyrrolidin-1-ylethanesulfonamide is O=S(=O)(CCN1CCCC1)N(Cc1ccc(-c2nnc(C(F)F)o2)cc1F)c1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-pyrrolidin-1-ylethanesulfonamide?
The InChIKey is PDNGKPXHGIUHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClF4N4O3S/c23-17-12-16(5-6-18(17)24)31(35(32,33)10-9-30-7-1-2-8-30)13-15-4-3-14(11-19(15)25)21-28-29-22(34-21)20(26)27/h3-6,11-12,20H,1-2,7-10,13H2.
What are the key properties of N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-pyrrolidin-1-ylethanesulfonamide?
N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-pyrrolidin-1-ylethanesulfonamide has a molecular weight of 532.95 g/mol, XLogP of 5.04, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-pyrrolidin-1-ylethanesulfonamide is sourced from PubChem (CID 126505943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).