2,4-dibromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide

C13H17Br2NO2S — CID 79356703

IUPAC2,4-dibromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
SMILESCC1(C)C(NS(=O)(=O)c2ccc(Br)cc2Br)C1(C)C
InChIInChI=1S/C13H17Br2NO2S/c1-12(2)11(13(12,3)4)16-19(17,18)10-6-5-8(14)7-9(10)15/h5-7,11,16H,1-4H3
InChIKeyNEIMRPNJRBVETN-UHFFFAOYSA-N
MW411.16 g/mol
LogP3.92
Rot. Bonds3

About 2,4-dibromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide

2,4-dibromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide (PubChem CID 79356703) has the molecular formula C13H17Br2NO2S and a molecular weight of 411.16 g/mol. Its IUPAC name is 2,4-dibromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dibromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
PubChem CID79356703
Molecular FormulaC13H17Br2NO2S
Molecular Weight411.16 g/mol
Exact Mass408.93
IUPAC Name2,4-dibromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
SMILESCC1(C)C(NS(=O)(=O)c2ccc(Br)cc2Br)C1(C)C
InChIInChI=1S/C13H17Br2NO2S/c1-12(2)11(13(12,3)4)16-19(17,18)10-6-5-8(14)7-9(10)15/h5-7,11,16H,1-4H3
InChIKeyNEIMRPNJRBVETN-UHFFFAOYSA-N
XLogP3.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.16
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79357727
3-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79357259
4-amino-2-fluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79352947
2,4-dibromo-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82736291
N-[(1R,2R)-2-aminocyclohexyl]-2,4-dibromobenzenesulfonamide
CID 93453140
2,4-dibromo-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide
CID 61061159
5-bromo-2-(methylamino)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-sulfonamide
CID 79356421
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,4-dibromobenzenesulfonamide
CID 61233306
5-amino-4-bromo-2-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 81397159
2,4-dibromo-N-(thian-3-yl)benzenesulfonamide
CID 113250007
2,4-dibromo-N-(1-propylpiperidin-4-yl)benzenesulfonamide
CID 61059201
2,4-dibromo-N-(2,6-dichlorophenyl)benzenesulfonamide
CID 61216757

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide?
The IUPAC name of 2,4-dibromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide (CID 79356703) is 2,4-dibromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dibromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide?
The canonical SMILES for 2,4-dibromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide is CC1(C)C(NS(=O)(=O)c2ccc(Br)cc2Br)C1(C)C.
What is the InChIKey of 2,4-dibromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide?
The InChIKey is NEIMRPNJRBVETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Br2NO2S/c1-12(2)11(13(12,3)4)16-19(17,18)10-6-5-8(14)7-9(10)15/h5-7,11,16H,1-4H3.
What are the key properties of 2,4-dibromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide?
2,4-dibromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide has a molecular weight of 411.16 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide is sourced from PubChem (CID 79356703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).