4-bromo-2,6-dichloro-N-(1-cyclopropylpiperidin-4-yl)benzenesulfonamide

C14H17BrCl2N2O2S — CID 18141545

IUPAC4-bromo-2,6-dichloro-N-(1-cyclopropylpiperidin-4-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCN(C2CC2)CC1)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C14H17BrCl2N2O2S/c15-9-7-12(16)14(13(17)8-9)22(20,21)18-10-3-5-19(6-4-10)11-1-2-11/h7-8,10-11,18H,1-6H2
InChIKeyVDWQZBIVIVPMRJ-UHFFFAOYSA-N
MW428.18 g/mol
LogP3.66
Rot. Bonds4

About 4-bromo-2,6-dichloro-N-(1-cyclopropylpiperidin-4-yl)benzenesulfonamide

4-bromo-2,6-dichloro-N-(1-cyclopropylpiperidin-4-yl)benzenesulfonamide (PubChem CID 18141545) has the molecular formula C14H17BrCl2N2O2S and a molecular weight of 428.18 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-(1-cyclopropylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-(1-cyclopropylpiperidin-4-yl)benzenesulfonamide
PubChem CID18141545
Molecular FormulaC14H17BrCl2N2O2S
Molecular Weight428.18 g/mol
Exact Mass425.96
IUPAC Name4-bromo-2,6-dichloro-N-(1-cyclopropylpiperidin-4-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCN(C2CC2)CC1)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C14H17BrCl2N2O2S/c15-9-7-12(16)14(13(17)8-9)22(20,21)18-10-3-5-19(6-4-10)11-1-2-11/h7-8,10-11,18H,1-6H2
InChIKeyVDWQZBIVIVPMRJ-UHFFFAOYSA-N
XLogP3.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.18
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-(1-cyclopropylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-(1-cyclopropylpiperidin-4-yl)benzenesulfonamide (CID 18141545) is 4-bromo-2,6-dichloro-N-(1-cyclopropylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-(1-cyclopropylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-(1-cyclopropylpiperidin-4-yl)benzenesulfonamide is O=S(=O)(NC1CCN(C2CC2)CC1)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-(1-cyclopropylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is VDWQZBIVIVPMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrCl2N2O2S/c15-9-7-12(16)14(13(17)8-9)22(20,21)18-10-3-5-19(6-4-10)11-1-2-11/h7-8,10-11,18H,1-6H2.
What are the key properties of 4-bromo-2,6-dichloro-N-(1-cyclopropylpiperidin-4-yl)benzenesulfonamide?
4-bromo-2,6-dichloro-N-(1-cyclopropylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 428.18 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-(1-cyclopropylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 18141545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).