4-bromo-2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide

C14H19BrFNO2S — CID 116528715

IUPAC4-bromo-2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
SMILESCC1(C)C(CNS(=O)(=O)c2ccc(Br)cc2F)C1(C)C
InChIInChI=1S/C14H19BrFNO2S/c1-13(2)12(14(13,3)4)8-17-20(18,19)11-6-5-9(15)7-10(11)16/h5-7,12,17H,8H2,1-4H3
InChIKeyQPVWJZSLSWXOFR-UHFFFAOYSA-N
MW364.28 g/mol
LogP3.55
Rot. Bonds4

About 4-bromo-2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide

4-bromo-2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide (PubChem CID 116528715) has the molecular formula C14H19BrFNO2S and a molecular weight of 364.28 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
PubChem CID116528715
Molecular FormulaC14H19BrFNO2S
Molecular Weight364.28 g/mol
Exact Mass363.03
IUPAC Name4-bromo-2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
SMILESCC1(C)C(CNS(=O)(=O)c2ccc(Br)cc2F)C1(C)C
InChIInChI=1S/C14H19BrFNO2S/c1-13(2)12(14(13,3)4)8-17-20(18,19)11-6-5-9(15)7-10(11)16/h5-7,12,17H,8H2,1-4H3
InChIKeyQPVWJZSLSWXOFR-UHFFFAOYSA-N
XLogP3.55
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.28
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Benzenesulfonamide, p-bromo-N-isobutyl-
CID 101309
4-bromo-N-(2-cyanopropyl)-3-fluorobenzenesulfonamide
CID 71979554
4-bromo-N-(2-fluoropropyl)benzenesulfonamide
CID 46939178
4-bromo-N-(2-fluoro-2-methylpropyl)benzenesulfonamide
CID 164683724
4-bromo-N-cyclopropyl-2-fluorobenzenesulfonamide
CID 53439926
4-bromo-N-ethyl-3-fluorobenzenesulfonamide
CID 68475160
4-bromo-N-cyclopropyl-3-fluorobenzenesulfonamide
CID 68481397
4-bromo-3-fluoro-N-propylbenzenesulfonamide
CID 68481840
4-bromo-N-(cyclopropylmethyl)-2,5-difluorobenzenesulfonamide
CID 68482433
4-bromo-N-(cyclopropylmethyl)-2-fluorobenzenesulfonamide
CID 68483200
4-bromo-N-(cyclopropylmethyl)-3-fluorobenzenesulfonamide
CID 68484496
4-bromo-3-fluoro-N-heptan-4-ylbenzenesulfonamide
CID 130254293

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide?
The IUPAC name of 4-bromo-2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide (CID 116528715) is 4-bromo-2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide is CC1(C)C(CNS(=O)(=O)c2ccc(Br)cc2F)C1(C)C.
What is the InChIKey of 4-bromo-2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide?
The InChIKey is QPVWJZSLSWXOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO2S/c1-13(2)12(14(13,3)4)8-17-20(18,19)11-6-5-9(15)7-10(11)16/h5-7,12,17H,8H2,1-4H3.
What are the key properties of 4-bromo-2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide?
4-bromo-2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide has a molecular weight of 364.28 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide is sourced from PubChem (CID 116528715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).