2-bromo-6-chloro-4-fluoro-N-[[(3R)-piperidin-3-yl]methyl]benzenesulfonamide

C12H15BrClFN2O2S — CID 124696739

IUPAC2-bromo-6-chloro-4-fluoro-N-[[(3R)-piperidin-3-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@@H]1CCCNC1)c1c(Cl)cc(F)cc1Br
InChIInChI=1S/C12H15BrClFN2O2S/c13-10-4-9(15)5-11(14)12(10)20(18,19)17-7-8-2-1-3-16-6-8/h4-5,8,16-17H,1-3,6-7H2/t8-/m1/s1
InChIKeyPJWJSIZKLICXAF-MRVPVSSYSA-N
MW385.69 g/mol
LogP2.52
Rot. Bonds4

About 2-bromo-6-chloro-4-fluoro-N-[[(3R)-piperidin-3-yl]methyl]benzenesulfonamide

2-bromo-6-chloro-4-fluoro-N-[[(3R)-piperidin-3-yl]methyl]benzenesulfonamide (PubChem CID 124696739) has the molecular formula C12H15BrClFN2O2S and a molecular weight of 385.69 g/mol. Its IUPAC name is 2-bromo-6-chloro-4-fluoro-N-[[(3R)-piperidin-3-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-6-chloro-4-fluoro-N-[[(3R)-piperidin-3-yl]methyl]benzenesulfonamide
PubChem CID124696739
Molecular FormulaC12H15BrClFN2O2S
Molecular Weight385.69 g/mol
Exact Mass383.97
IUPAC Name2-bromo-6-chloro-4-fluoro-N-[[(3R)-piperidin-3-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@@H]1CCCNC1)c1c(Cl)cc(F)cc1Br
InChIInChI=1S/C12H15BrClFN2O2S/c13-10-4-9(15)5-11(14)12(10)20(18,19)17-7-8-2-1-3-16-6-8/h4-5,8,16-17H,1-3,6-7H2/t8-/m1/s1
InChIKeyPJWJSIZKLICXAF-MRVPVSSYSA-N
XLogP2.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.69
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-5-chloro-2-fluoro-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 120707871
5-bromo-2-chloro-N-[[(3S)-piperidin-3-yl]methyl]benzenesulfonamide
CID 124698506
5-bromo-2-chloro-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 119968718
4-bromo-3-fluoro-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968667
2-bromo-6-chloro-4-fluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzenesulfonamide
CID 120721700
5-chloro-2-fluoro-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 120893998
2-bromo-5-chloro-4-methoxy-N-[[(3S)-piperidin-3-yl]methyl]benzenesulfonamide
CID 124686383
4-cyano-2,6-difluoro-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968672
2-bromo-6-chloro-4-fluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 120726722
2-[(2-bromo-6-chloro-4-fluorophenyl)sulfonylamino]-N-cyclopentylacetamide
CID 154858969
4-chloro-3-cyano-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968407
3-bromo-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968615

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-chloro-4-fluoro-N-[[(3R)-piperidin-3-yl]methyl]benzenesulfonamide?
The IUPAC name of 2-bromo-6-chloro-4-fluoro-N-[[(3R)-piperidin-3-yl]methyl]benzenesulfonamide (CID 124696739) is 2-bromo-6-chloro-4-fluoro-N-[[(3R)-piperidin-3-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-6-chloro-4-fluoro-N-[[(3R)-piperidin-3-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-6-chloro-4-fluoro-N-[[(3R)-piperidin-3-yl]methyl]benzenesulfonamide is O=S(=O)(NC[C@@H]1CCCNC1)c1c(Cl)cc(F)cc1Br.
What is the InChIKey of 2-bromo-6-chloro-4-fluoro-N-[[(3R)-piperidin-3-yl]methyl]benzenesulfonamide?
The InChIKey is PJWJSIZKLICXAF-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H15BrClFN2O2S/c13-10-4-9(15)5-11(14)12(10)20(18,19)17-7-8-2-1-3-16-6-8/h4-5,8,16-17H,1-3,6-7H2/t8-/m1/s1.
What are the key properties of 2-bromo-6-chloro-4-fluoro-N-[[(3R)-piperidin-3-yl]methyl]benzenesulfonamide?
2-bromo-6-chloro-4-fluoro-N-[[(3R)-piperidin-3-yl]methyl]benzenesulfonamide has a molecular weight of 385.69 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-chloro-4-fluoro-N-[[(3R)-piperidin-3-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 124696739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).