2,4-dibromo-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide

C13H15Br2NO4S2 — CID 55873872

IUPAC2,4-dibromo-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide
SMILESO=S1(=O)CCC(N(C2CC2)S(=O)(=O)c2ccc(Br)cc2Br)C1
InChIInChI=1S/C13H15Br2NO4S2/c14-9-1-4-13(12(15)7-9)22(19,20)16(10-2-3-10)11-5-6-21(17,18)8-11/h1,4,7,10-11H,2-3,5-6,8H2
InChIKeyWXCMLNYYHUXJSN-UHFFFAOYSA-N
MW473.21 g/mol
LogP2.55
Rot. Bonds4

About 2,4-dibromo-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide

2,4-dibromo-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide (PubChem CID 55873872) has the molecular formula C13H15Br2NO4S2 and a molecular weight of 473.21 g/mol. Its IUPAC name is 2,4-dibromo-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dibromo-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide
PubChem CID55873872
Molecular FormulaC13H15Br2NO4S2
Molecular Weight473.21 g/mol
Exact Mass470.88
IUPAC Name2,4-dibromo-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide
SMILESO=S1(=O)CCC(N(C2CC2)S(=O)(=O)c2ccc(Br)cc2Br)C1
InChIInChI=1S/C13H15Br2NO4S2/c14-9-1-4-13(12(15)7-9)22(19,20)16(10-2-3-10)11-5-6-21(17,18)8-11/h1,4,7,10-11H,2-3,5-6,8H2
InChIKeyWXCMLNYYHUXJSN-UHFFFAOYSA-N
XLogP2.55
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.21
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]benzenesulfonamide
CID 52541834
4-chloro-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzenesulfonamide
CID 51284609
2,5-dibromo-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylbenzenesulfonamide
CID 129366084
2-amino-5-bromo-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide
CID 60988461
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide
CID 47130910
4-amino-2-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylbenzenesulfonamide
CID 61107982
2,5-dibromo-N-[(3S)-1,1-dioxothiolan-3-yl]-N-propylbenzenesulfonamide
CID 26942262
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-4-methylbenzenesulfonamide
CID 51284591
4-bromo-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide
CID 47113368
N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-3,4-dimethylbenzenesulfonamide
CID 52541859
2-bromo-N-cyclohexyl-N-cyclopropyl-4-fluorobenzenesulfonamide
CID 55906746
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)thiophene-2-sulfonamide
CID 47317810

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide?
The IUPAC name of 2,4-dibromo-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide (CID 55873872) is 2,4-dibromo-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 2,4-dibromo-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide?
The canonical SMILES for 2,4-dibromo-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide is O=S1(=O)CCC(N(C2CC2)S(=O)(=O)c2ccc(Br)cc2Br)C1.
What is the InChIKey of 2,4-dibromo-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide?
The InChIKey is WXCMLNYYHUXJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br2NO4S2/c14-9-1-4-13(12(15)7-9)22(19,20)16(10-2-3-10)11-5-6-21(17,18)8-11/h1,4,7,10-11H,2-3,5-6,8H2.
What are the key properties of 2,4-dibromo-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide?
2,4-dibromo-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide has a molecular weight of 473.21 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 55873872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).