2,4-dichloro-3-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide

C12H14Cl2N2O4S — CID 103540948

IUPAC2,4-dichloro-3-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCOC1CCN(C(=O)c2c(Cl)ccc(S(N)(=O)=O)c2Cl)C1
InChIInChI=1S/C12H14Cl2N2O4S/c1-20-7-4-5-16(6-7)12(17)10-8(13)2-3-9(11(10)14)21(15,18)19/h2-3,7H,4-6H2,1H3,(H2,15,18,19)
InChIKeyVOPUUDVOOKJFOH-UHFFFAOYSA-N
MW353.23 g/mol
LogP1.50
Rot. Bonds3

About 2,4-dichloro-3-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide

2,4-dichloro-3-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide (PubChem CID 103540948) has the molecular formula C12H14Cl2N2O4S and a molecular weight of 353.23 g/mol. Its IUPAC name is 2,4-dichloro-3-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-3-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide
PubChem CID103540948
Molecular FormulaC12H14Cl2N2O4S
Molecular Weight353.23 g/mol
Exact Mass352.01
IUPAC Name2,4-dichloro-3-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCOC1CCN(C(=O)c2c(Cl)ccc(S(N)(=O)=O)c2Cl)C1
InChIInChI=1S/C12H14Cl2N2O4S/c1-20-7-4-5-16(6-7)12(17)10-8(13)2-3-9(11(10)14)21(15,18)19/h2-3,7H,4-6H2,1H3,(H2,15,18,19)
InChIKeyVOPUUDVOOKJFOH-UHFFFAOYSA-N
XLogP1.50
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.23
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-(3-methoxypyrrolidine-1-carbonyl)-3-methylbenzenesulfonamide
CID 103540992
4-chloro-2-fluoro-5-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide
CID 103541001
2-bromo-4-fluoro-5-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide
CID 103540977
(3-chloro-4-iodophenyl)-(3-methoxypyrrolidin-1-yl)methanone
CID 103533788
2-chloro-5-(3-methoxypyrrolidine-1-carbonyl)-3-methylbenzenesulfonyl chloride
CID 103540871
3,4-difluoro-5-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide
CID 103540940
(2-tert-butyl-6-chloro-4-pyridinyl)-(3-methoxypyrrolidin-1-yl)methanone
CID 103532700
2-bromo-5-(3-methoxypiperidine-1-carbonyl)furan-3-sulfonamide
CID 102970878
2-bromo-4-fluoro-5-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonyl chloride
CID 103540919
(3-chloro-4-hydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 43216506
5-(3-methoxypyrrolidine-1-carbonyl)-1-propylpyrrole-3-sulfonamide
CID 103540961
(3-methoxypyrrolidin-1-yl)-(5-methylfuran-2-yl)methanone
CID 108730619

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 2,4-dichloro-3-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide (CID 103540948) is 2,4-dichloro-3-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-3-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-3-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide is COC1CCN(C(=O)c2c(Cl)ccc(S(N)(=O)=O)c2Cl)C1.
What is the InChIKey of 2,4-dichloro-3-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide?
The InChIKey is VOPUUDVOOKJFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O4S/c1-20-7-4-5-16(6-7)12(17)10-8(13)2-3-9(11(10)14)21(15,18)19/h2-3,7H,4-6H2,1H3,(H2,15,18,19).
What are the key properties of 2,4-dichloro-3-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide?
2,4-dichloro-3-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide has a molecular weight of 353.23 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 103540948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).