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

C13H18BrNO2S — CID 79357727

IUPAC4-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
SMILESCC1(C)C(NS(=O)(=O)c2ccc(Br)cc2)C1(C)C
InChIInChI=1S/C13H18BrNO2S/c1-12(2)11(13(12,3)4)15-18(16,17)10-7-5-9(14)6-8-10/h5-8,11,15H,1-4H3
InChIKeyDWTHLWIARKJGFM-UHFFFAOYSA-N
MW332.26 g/mol
LogP3.16
Rot. Bonds3

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

4-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide (PubChem CID 79357727) has the molecular formula C13H18BrNO2S and a molecular weight of 332.26 g/mol. Its IUPAC name is 4-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
PubChem CID79357727
Molecular FormulaC13H18BrNO2S
Molecular Weight332.26 g/mol
Exact Mass331.02
IUPAC Name4-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
SMILESCC1(C)C(NS(=O)(=O)c2ccc(Br)cc2)C1(C)C
InChIInChI=1S/C13H18BrNO2S/c1-12(2)11(13(12,3)4)15-18(16,17)10-7-5-9(14)6-8-10/h5-8,11,15H,1-4H3
InChIKeyDWTHLWIARKJGFM-UHFFFAOYSA-N
XLogP3.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.26
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79357259
6-amino-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-sulfonamide
CID 79352951
4-bromo-N',N'-dimethylbenzenesulfonohydrazide
CID 83023481
4-bromo-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzenesulfonamide
CID 7028487
3-amino-4-chloro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79351598
6-(aminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-sulfonamide
CID 114613617
3-(aminomethyl)-4-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79357481
4-bromo-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545225
4-bromo-N-(3,4-dimethylcyclohexyl)benzenesulfonamide
CID 64741660
4-bromo-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzenesulfonamide
CID 11895768
4-bromo-N-(1,1-dioxothian-4-yl)benzenesulfonamide
CID 59744414
4-bromo-N-(3-ethoxycyclobutyl)benzenesulfonamide
CID 102609509

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide (CID 79357727) is 4-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide is CC1(C)C(NS(=O)(=O)c2ccc(Br)cc2)C1(C)C.
What is the InChIKey of 4-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide?
The InChIKey is DWTHLWIARKJGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2S/c1-12(2)11(13(12,3)4)15-18(16,17)10-7-5-9(14)6-8-10/h5-8,11,15H,1-4H3.
What are the key properties of 4-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide?
4-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide has a molecular weight of 332.26 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide is sourced from PubChem (CID 79357727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).