5-bromo-2-chloro-3-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonamide

C13H16BrClN2O3S — CID 65388766

IUPAC5-bromo-2-chloro-3-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCCC1CCCN1C(=O)c1cc(Br)cc(S(N)(=O)=O)c1Cl
InChIInChI=1S/C13H16BrClN2O3S/c1-2-9-4-3-5-17(9)13(18)10-6-8(14)7-11(12(10)15)21(16,19)20/h6-7,9H,2-5H2,1H3,(H2,16,19,20)
InChIKeyCHTZEJVMVAOOJG-UHFFFAOYSA-N
MW395.71 g/mol
LogP2.76
Rot. Bonds3

About 5-bromo-2-chloro-3-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonamide

5-bromo-2-chloro-3-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonamide (PubChem CID 65388766) has the molecular formula C13H16BrClN2O3S and a molecular weight of 395.71 g/mol. Its IUPAC name is 5-bromo-2-chloro-3-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-chloro-3-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonamide
PubChem CID65388766
Molecular FormulaC13H16BrClN2O3S
Molecular Weight395.71 g/mol
Exact Mass393.98
IUPAC Name5-bromo-2-chloro-3-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCCC1CCCN1C(=O)c1cc(Br)cc(S(N)(=O)=O)c1Cl
InChIInChI=1S/C13H16BrClN2O3S/c1-2-9-4-3-5-17(9)13(18)10-6-8(14)7-11(12(10)15)21(16,19)20/h6-7,9H,2-5H2,1H3,(H2,16,19,20)
InChIKeyCHTZEJVMVAOOJG-UHFFFAOYSA-N
XLogP2.76
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.71
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-(2-ethylpyrrolidine-1-carbonyl)-2-methylbenzenesulfonyl chloride
CID 65372117
5-[(2R)-2-ethylpiperidine-1-carbonyl]-2,4-dimethylbenzenesulfonamide
CID 95382756
2-(2-ethylpiperidine-1-carbonyl)benzenesulfonamide
CID 43266727
(5-bromo-2-chlorophenyl)-(2-ethylazepan-1-yl)methanone
CID 113441714
2,5-dichloro-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 65388192
3-chloro-2-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 63661655
(5-bromo-2-methylphenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 65309657
4-chloro-3-(2-ethylpyrrolidine-1-carbonyl)-5-fluorobenzenesulfonyl chloride
CID 81454897
(3-bromo-5-chlorophenyl)-(2-ethylpiperidin-1-yl)methanone
CID 107951572
2,3-dichloro-5-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonyl chloride
CID 65371925
(3-bromo-4-chlorophenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 103841917
3-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 54885699

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-3-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 5-bromo-2-chloro-3-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonamide (CID 65388766) is 5-bromo-2-chloro-3-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-chloro-3-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-chloro-3-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonamide is CCC1CCCN1C(=O)c1cc(Br)cc(S(N)(=O)=O)c1Cl.
What is the InChIKey of 5-bromo-2-chloro-3-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonamide?
The InChIKey is CHTZEJVMVAOOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClN2O3S/c1-2-9-4-3-5-17(9)13(18)10-6-8(14)7-11(12(10)15)21(16,19)20/h6-7,9H,2-5H2,1H3,(H2,16,19,20).
What are the key properties of 5-bromo-2-chloro-3-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonamide?
5-bromo-2-chloro-3-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonamide has a molecular weight of 395.71 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-3-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 65388766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).