2,4-dibromo-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide

C14H20Br2N2O2S — CID 61061159

IUPAC2,4-dibromo-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide
SMILESCC(C)N1CCC(NS(=O)(=O)c2ccc(Br)cc2Br)CC1
InChIInChI=1S/C14H20Br2N2O2S/c1-10(2)18-7-5-12(6-8-18)17-21(19,20)14-4-3-11(15)9-13(14)16/h3-4,9-10,12,17H,5-8H2,1-2H3
InChIKeyVPHCVYLOCZXDCQ-UHFFFAOYSA-N
MW440.20 g/mol
LogP3.36
Rot. Bonds4

About 2,4-dibromo-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide

2,4-dibromo-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide (PubChem CID 61061159) has the molecular formula C14H20Br2N2O2S and a molecular weight of 440.20 g/mol. Its IUPAC name is 2,4-dibromo-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dibromo-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide
PubChem CID61061159
Molecular FormulaC14H20Br2N2O2S
Molecular Weight440.20 g/mol
Exact Mass437.96
IUPAC Name2,4-dibromo-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide
SMILESCC(C)N1CCC(NS(=O)(=O)c2ccc(Br)cc2Br)CC1
InChIInChI=1S/C14H20Br2N2O2S/c1-10(2)18-7-5-12(6-8-18)17-21(19,20)14-4-3-11(15)9-13(14)16/h3-4,9-10,12,17H,5-8H2,1-2H3
InChIKeyVPHCVYLOCZXDCQ-UHFFFAOYSA-N
XLogP3.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.20
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide
CID 60660673
2,4-dibromo-N-(1-propylpiperidin-4-yl)benzenesulfonamide
CID 61059201
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,4-dibromobenzenesulfonamide
CID 61233306
4-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide
CID 22772651
2,4-dibromo-N-(thian-3-yl)benzenesulfonamide
CID 113250007
2,5-dibromo-N-(1-propylpiperidin-4-yl)benzenesulfonamide
CID 60664808
2,4-dibromo-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82736291
2-bromo-4-(methylaminomethyl)-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 106025266
2,4-dibromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79356703
N-[(1R,2R)-2-aminocyclohexyl]-2,4-dibromobenzenesulfonamide
CID 93453140
1-(2,4-dibromophenyl)sulfonyl-N-methylpyrrolidin-3-amine
CID 115300248
4-bromo-2-fluoro-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 116528485

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 2,4-dibromo-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide (CID 61061159) is 2,4-dibromo-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 2,4-dibromo-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 2,4-dibromo-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide is CC(C)N1CCC(NS(=O)(=O)c2ccc(Br)cc2Br)CC1.
What is the InChIKey of 2,4-dibromo-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is VPHCVYLOCZXDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Br2N2O2S/c1-10(2)18-7-5-12(6-8-18)17-21(19,20)14-4-3-11(15)9-13(14)16/h3-4,9-10,12,17H,5-8H2,1-2H3.
What are the key properties of 2,4-dibromo-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide?
2,4-dibromo-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 440.20 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 61061159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).