3-bromo-2-fluoro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride

C11H15BrClFN2O2S — CID 120707137

IUPAC3-bromo-2-fluoro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(NC1CCCNC1)c1cccc(Br)c1F
InChIInChI=1S/C11H14BrFN2O2S.ClH/c12-9-4-1-5-10(11(9)13)18(16,17)15-8-3-2-6-14-7-8;/h1,4-5,8,14-15H,2-3,6-7H2;1H
InChIKeyMPHZLJVLOFKBFQ-UHFFFAOYSA-N
MW373.68 g/mol
LogP2.04
Rot. Bonds3

About 3-bromo-2-fluoro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride

3-bromo-2-fluoro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride (PubChem CID 120707137) has the molecular formula C11H15BrClFN2O2S and a molecular weight of 373.68 g/mol. Its IUPAC name is 3-bromo-2-fluoro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-bromo-2-fluoro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
PubChem CID120707137
Molecular FormulaC11H15BrClFN2O2S
Molecular Weight373.68 g/mol
Exact Mass371.97
IUPAC Name3-bromo-2-fluoro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(NC1CCCNC1)c1cccc(Br)c1F
InChIInChI=1S/C11H14BrFN2O2S.ClH/c12-9-4-1-5-10(11(9)13)18(16,17)15-8-3-2-6-14-7-8;/h1,4-5,8,14-15H,2-3,6-7H2;1H
InChIKeyMPHZLJVLOFKBFQ-UHFFFAOYSA-N
XLogP2.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.68
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 120707591
3-bromo-2-fluoro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 120706286
5-bromo-2,4-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 166174754
2,5-dibromo-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716620
2-bromo-6-chloro-N-piperidin-3-ylbenzenesulfonamide
CID 120999547
N-[(3S)-piperidin-3-yl]naphthalene-1-sulfonamide
CID 104982537
2,5-dibromo-N-[(3R)-piperidin-3-yl]benzenesulfonamide
CID 95400193
2-bromo-4-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716767
2,5-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723761
2-bromo-4-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 55204708
3-bromo-N-piperidin-3-ylbenzenesulfonamide
CID 63321214
2-fluoro-5-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716722

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-fluoro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride?
The IUPAC name of 3-bromo-2-fluoro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride (CID 120707137) is 3-bromo-2-fluoro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-bromo-2-fluoro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 3-bromo-2-fluoro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride is Cl.O=S(=O)(NC1CCCNC1)c1cccc(Br)c1F.
What is the InChIKey of 3-bromo-2-fluoro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride?
The InChIKey is MPHZLJVLOFKBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O2S.ClH/c12-9-4-1-5-10(11(9)13)18(16,17)15-8-3-2-6-14-7-8;/h1,4-5,8,14-15H,2-3,6-7H2;1H.
What are the key properties of 3-bromo-2-fluoro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride?
3-bromo-2-fluoro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride has a molecular weight of 373.68 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-fluoro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120707137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).