4-chloro-2-fluoro-5-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide

C12H14ClFN2O4S — CID 103541001

IUPAC4-chloro-2-fluoro-5-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCOC1CCN(C(=O)c2cc(S(N)(=O)=O)c(F)cc2Cl)C1
InChIInChI=1S/C12H14ClFN2O4S/c1-20-7-2-3-16(6-7)12(17)8-4-11(21(15,18)19)10(14)5-9(8)13/h4-5,7H,2-3,6H2,1H3,(H2,15,18,19)
InChIKeyLCALUFJMISYBIH-UHFFFAOYSA-N
MW336.77 g/mol
LogP0.99
Rot. Bonds3

About 4-chloro-2-fluoro-5-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide

4-chloro-2-fluoro-5-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide (PubChem CID 103541001) has the molecular formula C12H14ClFN2O4S and a molecular weight of 336.77 g/mol. Its IUPAC name is 4-chloro-2-fluoro-5-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-5-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide
PubChem CID103541001
Molecular FormulaC12H14ClFN2O4S
Molecular Weight336.77 g/mol
Exact Mass336.03
IUPAC Name4-chloro-2-fluoro-5-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCOC1CCN(C(=O)c2cc(S(N)(=O)=O)c(F)cc2Cl)C1
InChIInChI=1S/C12H14ClFN2O4S/c1-20-7-2-3-16(6-7)12(17)8-4-11(21(15,18)19)10(14)5-9(8)13/h4-5,7H,2-3,6H2,1H3,(H2,15,18,19)
InChIKeyLCALUFJMISYBIH-UHFFFAOYSA-N
XLogP0.99
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.77
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-2-fluoro-5-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide 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

2-bromo-4-fluoro-5-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide
CID 103540977
4-chloro-5-(3,4-dimethylpyrrolidine-1-carbonyl)-2-fluorobenzenesulfonamide
CID 79179813
(2-chloro-4,5-difluorophenyl)-(3-methoxypiperidin-1-yl)methanone
CID 91830057
2-bromo-4-fluoro-5-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonyl chloride
CID 103540919
3,4-difluoro-5-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide
CID 103540940
2,4-dichloro-3-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide
CID 103540948
2-chloro-5-(3-methoxypyrrolidine-1-carbonyl)-3-methylbenzenesulfonamide
CID 103540992
4,5-difluoro-2-(3-methoxypyrrolidine-1-carbonyl)benzoic acid
CID 103531290
3,4-difluoro-5-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonyl chloride
CID 103540928
2-bromo-5-fluoro-3-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonyl chloride
CID 103540926
[(3S)-1-(2-chloro-4,5-difluorobenzoyl)pyrrolidin-3-yl]methanesulfonamide
CID 125173276
4-fluoro-3-(4-methoxypiperidine-1-carbonyl)benzenesulfonamide
CID 65388554

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-5-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 4-chloro-2-fluoro-5-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide (CID 103541001) is 4-chloro-2-fluoro-5-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-2-fluoro-5-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-2-fluoro-5-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide is COC1CCN(C(=O)c2cc(S(N)(=O)=O)c(F)cc2Cl)C1.
What is the InChIKey of 4-chloro-2-fluoro-5-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide?
The InChIKey is LCALUFJMISYBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O4S/c1-20-7-2-3-16(6-7)12(17)8-4-11(21(15,18)19)10(14)5-9(8)13/h4-5,7H,2-3,6H2,1H3,(H2,15,18,19).
What are the key properties of 4-chloro-2-fluoro-5-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide?
4-chloro-2-fluoro-5-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide has a molecular weight of 336.77 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-5-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 103541001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).