3-bromo-4-chloro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide

C14H20BrClN2O2S — CID 106611588

IUPAC3-bromo-4-chloro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide
SMILESCC(CN1CCCCC1)NS(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H20BrClN2O2S/c1-11(10-18-7-3-2-4-8-18)17-21(19,20)12-5-6-14(16)13(15)9-12/h5-6,9,11,17H,2-4,7-8,10H2,1H3
InChIKeyXRAQDBPJMPOQHY-UHFFFAOYSA-N
MW395.75 g/mol
LogP3.26
Rot. Bonds5

About 3-bromo-4-chloro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide

3-bromo-4-chloro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide (PubChem CID 106611588) has the molecular formula C14H20BrClN2O2S and a molecular weight of 395.75 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide
PubChem CID106611588
Molecular FormulaC14H20BrClN2O2S
Molecular Weight395.75 g/mol
Exact Mass394.01
IUPAC Name3-bromo-4-chloro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide
SMILESCC(CN1CCCCC1)NS(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H20BrClN2O2S/c1-11(10-18-7-3-2-4-8-18)17-21(19,20)12-5-6-14(16)13(15)9-12/h5-6,9,11,17H,2-4,7-8,10H2,1H3
InChIKeyXRAQDBPJMPOQHY-UHFFFAOYSA-N
XLogP3.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.75
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2,6-dichloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 61221311
3-bromo-4-chloro-N-propan-2-ylbenzenesulfonamide
CID 106545028
3-bromo-4-chloro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 106546351
2-bromo-4-fluoro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide
CID 61060737
3-amino-4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 61471703
3-bromo-4-chloro-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 106611329
3-bromo-4-chloro-N-(1-methylsulfinylpropan-2-yl)benzenesulfonamide
CID 106546751
3-bromo-4-chloro-N-(2-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 106545497
3-bromo-4-chloro-N-[1-(diethylamino)propan-2-yl]benzenesulfonamide
CID 106612140
3-bromo-4-chloro-N-(1-cyclohexylethyl)benzenesulfonamide
CID 106612198
2-amino-4-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 61471974
3-amino-5-fluoro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide
CID 63322579

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 3-bromo-4-chloro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide (CID 106611588) is 3-bromo-4-chloro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 3-bromo-4-chloro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide is CC(CN1CCCCC1)NS(=O)(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide?
The InChIKey is XRAQDBPJMPOQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrClN2O2S/c1-11(10-18-7-3-2-4-8-18)17-21(19,20)12-5-6-14(16)13(15)9-12/h5-6,9,11,17H,2-4,7-8,10H2,1H3.
What are the key properties of 3-bromo-4-chloro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide?
3-bromo-4-chloro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide has a molecular weight of 395.75 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 106611588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).