3,4-difluoro-5-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide

C12H14F2N2O4S — CID 103540940

IUPAC3,4-difluoro-5-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCOC1CCN(C(=O)c2cc(S(N)(=O)=O)cc(F)c2F)C1
InChIInChI=1S/C12H14F2N2O4S/c1-20-7-2-3-16(6-7)12(17)9-4-8(21(15,18)19)5-10(13)11(9)14/h4-5,7H,2-3,6H2,1H3,(H2,15,18,19)
InChIKeyWOQYAPBIXWQCCB-UHFFFAOYSA-N
MW320.32 g/mol
LogP0.47
Rot. Bonds3

About 3,4-difluoro-5-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide

3,4-difluoro-5-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide (PubChem CID 103540940) has the molecular formula C12H14F2N2O4S and a molecular weight of 320.32 g/mol. Its IUPAC name is 3,4-difluoro-5-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-5-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide
PubChem CID103540940
Molecular FormulaC12H14F2N2O4S
Molecular Weight320.32 g/mol
Exact Mass320.06
IUPAC Name3,4-difluoro-5-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCOC1CCN(C(=O)c2cc(S(N)(=O)=O)cc(F)c2F)C1
InChIInChI=1S/C12H14F2N2O4S/c1-20-7-2-3-16(6-7)12(17)9-4-8(21(15,18)19)5-10(13)11(9)14/h4-5,7H,2-3,6H2,1H3,(H2,15,18,19)
InChIKeyWOQYAPBIXWQCCB-UHFFFAOYSA-N
XLogP0.47
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-difluoro-5-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonyl chloride
CID 103540928
4-fluoro-3-(4-methoxypiperidine-1-carbonyl)benzenesulfonamide
CID 65388554
2-bromo-4-fluoro-5-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide
CID 103540977
4-chloro-2-fluoro-5-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide
CID 103541001
4,5-difluoro-2-(3-methoxypyrrolidine-1-carbonyl)benzoic acid
CID 103531290
2-bromo-4-fluoro-5-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonyl chloride
CID 103540919
4-bromo-3-(4-methoxypiperidine-1-carbonyl)benzenesulfonamide
CID 60729832
5-(3-methoxypyrrolidine-1-carbonyl)-1-propylpyrrole-3-sulfonamide
CID 103540961
[4-fluoro-5-(methylamino)-2-nitrophenyl]-(3-methoxypyrrolidin-1-yl)methanone
CID 103538449
(3-methoxypiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone
CID 103644623
[4-amino-2-(trifluoromethyl)phenyl]-[(3S)-3-methoxypyrrolidin-1-yl]methanone
CID 164558687
2-bromo-5-fluoro-3-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonyl chloride
CID 103540926

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-5-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 3,4-difluoro-5-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide (CID 103540940) is 3,4-difluoro-5-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-5-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-5-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide is COC1CCN(C(=O)c2cc(S(N)(=O)=O)cc(F)c2F)C1.
What is the InChIKey of 3,4-difluoro-5-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide?
The InChIKey is WOQYAPBIXWQCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O4S/c1-20-7-2-3-16(6-7)12(17)9-4-8(21(15,18)19)5-10(13)11(9)14/h4-5,7H,2-3,6H2,1H3,(H2,15,18,19).
What are the key properties of 3,4-difluoro-5-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide?
3,4-difluoro-5-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide has a molecular weight of 320.32 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-5-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 103540940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).