3-acetyl-N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide

C19H19ClN2O4S — CID 55767362

IUPAC3-acetyl-N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2C(=O)N2CCCC2)c1
InChIInChI=1S/C19H19ClN2O4S/c1-13(23)14-5-4-6-16(11-14)27(25,26)21-18-12-15(20)7-8-17(18)19(24)22-9-2-3-10-22/h4-8,11-12,21H,2-3,9-10H2,1H3
InChIKeyFQXYMJIXGBBRCD-UHFFFAOYSA-N
MW406.89 g/mol
LogP3.58
Rot. Bonds5

About 3-acetyl-N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide

3-acetyl-N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide (PubChem CID 55767362) has the molecular formula C19H19ClN2O4S and a molecular weight of 406.89 g/mol. Its IUPAC name is 3-acetyl-N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
PubChem CID55767362
Molecular FormulaC19H19ClN2O4S
Molecular Weight406.89 g/mol
Exact Mass406.08
IUPAC Name3-acetyl-N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2C(=O)N2CCCC2)c1
InChIInChI=1S/C19H19ClN2O4S/c1-13(23)14-5-4-6-16(11-14)27(25,26)21-18-12-15(20)7-8-17(18)19(24)22-9-2-3-10-22/h4-8,11-12,21H,2-3,9-10H2,1H3
InChIKeyFQXYMJIXGBBRCD-UHFFFAOYSA-N
XLogP3.58
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.89
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063323
N-(5-chloro-2-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063322
3-acetyl-N-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 8504652
N-(4-acetylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 47946202
N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-4-fluoro-2-methylbenzenesulfonamide
CID 60534480
3-[(5-chloro-2-methylphenyl)sulfamoyl]benzoic acid
CID 8504645
N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-3,4-dihydronaphthalene-2-sulfonamide
CID 46483857
N-(2,5-dichlorophenyl)-3-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide
CID 2336349
N-[4-chloro-2-(piperidine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 169371025
N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-fluoro-4-methylbenzenesulfonamide
CID 60534962
3-acetyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 51097875
N-(2,5-dichlorophenyl)-3-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]benzenesulfonamide
CID 2331634

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of 3-acetyl-N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide (CID 55767362) is 3-acetyl-N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2C(=O)N2CCCC2)c1.
What is the InChIKey of 3-acetyl-N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is FQXYMJIXGBBRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4S/c1-13(23)14-5-4-6-16(11-14)27(25,26)21-18-12-15(20)7-8-17(18)19(24)22-9-2-3-10-22/h4-8,11-12,21H,2-3,9-10H2,1H3.
What are the key properties of 3-acetyl-N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide?
3-acetyl-N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 406.89 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 55767362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).