5-bromo-2,4-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride

C11H14BrClF2N2O2S — CID 166174754

IUPAC5-bromo-2,4-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(N[C@@H]1CCCNC1)c1cc(Br)c(F)cc1F
InChIInChI=1S/C11H13BrF2N2O2S.ClH/c12-8-4-11(10(14)5-9(8)13)19(17,18)16-7-2-1-3-15-6-7;/h4-5,7,15-16H,1-3,6H2;1H/t7-;/m1./s1
InChIKeyGGRFGMJFKXXQFM-OGFXRTJISA-N
MW391.67 g/mol
LogP2.18
Rot. Bonds3

About 5-bromo-2,4-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride

5-bromo-2,4-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride (PubChem CID 166174754) has the molecular formula C11H14BrClF2N2O2S and a molecular weight of 391.67 g/mol. Its IUPAC name is 5-bromo-2,4-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name5-bromo-2,4-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
PubChem CID166174754
Molecular FormulaC11H14BrClF2N2O2S
Molecular Weight391.67 g/mol
Exact Mass389.96
IUPAC Name5-bromo-2,4-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(N[C@@H]1CCCNC1)c1cc(Br)c(F)cc1F
InChIInChI=1S/C11H13BrF2N2O2S.ClH/c12-8-4-11(10(14)5-9(8)13)19(17,18)16-7-2-1-3-15-6-7;/h4-5,7,15-16H,1-3,6H2;1H/t7-;/m1./s1
InChIKeyGGRFGMJFKXXQFM-OGFXRTJISA-N
XLogP2.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.67
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 5-bromo-2,4-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-difluoro-5-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 119964177
2,5-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723761
3-bromo-2-fluoro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 120707137
2-fluoro-5-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716722
2,5-dibromo-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716620
2-fluoro-4-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 124625901
2,5-dibromo-N-[(3R)-piperidin-3-yl]benzenesulfonamide
CID 95400193
2-bromo-4-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716767
5-bromo-2-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119967062
2-fluoro-5-methylsulfonyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 104982715
2-bromo-4-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 55204708
2-bromo-5-methoxy-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 124625915

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,4-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride?
The IUPAC name of 5-bromo-2,4-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride (CID 166174754) is 5-bromo-2,4-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 5-bromo-2,4-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 5-bromo-2,4-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride is Cl.O=S(=O)(N[C@@H]1CCCNC1)c1cc(Br)c(F)cc1F.
What is the InChIKey of 5-bromo-2,4-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride?
The InChIKey is GGRFGMJFKXXQFM-OGFXRTJISA-N. The full InChI is InChI=1S/C11H13BrF2N2O2S.ClH/c12-8-4-11(10(14)5-9(8)13)19(17,18)16-7-2-1-3-15-6-7;/h4-5,7,15-16H,1-3,6H2;1H/t7-;/m1./s1.
What are the key properties of 5-bromo-2,4-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride?
5-bromo-2,4-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride has a molecular weight of 391.67 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,4-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 166174754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).