2,4-dibromo-N-(1-propylpiperidin-4-yl)benzenesulfonamide

C14H20Br2N2O2S — CID 61059201

IUPAC2,4-dibromo-N-(1-propylpiperidin-4-yl)benzenesulfonamide
SMILESCCCN1CCC(NS(=O)(=O)c2ccc(Br)cc2Br)CC1
InChIInChI=1S/C14H20Br2N2O2S/c1-2-7-18-8-5-12(6-9-18)17-21(19,20)14-4-3-11(15)10-13(14)16/h3-4,10,12,17H,2,5-9H2,1H3
InChIKeyMQJBLQXEKUIBDS-UHFFFAOYSA-N
MW440.20 g/mol
LogP3.36
Rot. Bonds5

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

2,4-dibromo-N-(1-propylpiperidin-4-yl)benzenesulfonamide (PubChem CID 61059201) has the molecular formula C14H20Br2N2O2S and a molecular weight of 440.20 g/mol. Its IUPAC name is 2,4-dibromo-N-(1-propylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dibromo-N-(1-propylpiperidin-4-yl)benzenesulfonamide
PubChem CID61059201
Molecular FormulaC14H20Br2N2O2S
Molecular Weight440.20 g/mol
Exact Mass437.96
IUPAC Name2,4-dibromo-N-(1-propylpiperidin-4-yl)benzenesulfonamide
SMILESCCCN1CCC(NS(=O)(=O)c2ccc(Br)cc2Br)CC1
InChIInChI=1S/C14H20Br2N2O2S/c1-2-7-18-8-5-12(6-9-18)17-21(19,20)14-4-3-11(15)10-13(14)16/h3-4,10,12,17H,2,5-9H2,1H3
InChIKeyMQJBLQXEKUIBDS-UHFFFAOYSA-N
XLogP3.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

4-bromo-N-[3-(dimethylamino)-2-methylpropyl]benzenesulfonamide
CID 2953567
4-bromo-N-[2-(1-methyl-2-pyrrolidinyl)ethyl]benzenesulfonamide
CID 5063625
4-Bromo-N-(2-piperidin-1-yl-ethyl)-benzenesulfonamide
CID 10497826
4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]benzenesulfonamide;hydrochloride
CID 16246969
2-bromo-4,6-difluoro-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide
CID 8005361
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2,4-dibromobenzenesulfonamide
CID 44420563
1'-(4-Bromobenzenesulfonyl)-1,4'-bipiperidine
CID 23605220
4-bromo-N-[(1-ethyl-2-pyrrolidinyl)methyl]benzenesulfonamide
CID 4883745
1-(4-Bromobenzenesulfonyl)piperidin-3-amine
CID 43189425
(2R)-1-(4-bromo-2-fluorophenyl)sulfonyl-2-methylpiperazine
CID 104889690
1-[(4-Bromophenyl)sulfonyl]-4-isopropylpiperazine
CID 6733463
2-bromo-N-(1-cyclopropylpiperidin-4-yl)benzenesulfonamide
CID 17456002

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(1-propylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 2,4-dibromo-N-(1-propylpiperidin-4-yl)benzenesulfonamide (CID 61059201) is 2,4-dibromo-N-(1-propylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 2,4-dibromo-N-(1-propylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 2,4-dibromo-N-(1-propylpiperidin-4-yl)benzenesulfonamide is CCCN1CCC(NS(=O)(=O)c2ccc(Br)cc2Br)CC1.
What is the InChIKey of 2,4-dibromo-N-(1-propylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is MQJBLQXEKUIBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Br2N2O2S/c1-2-7-18-8-5-12(6-9-18)17-21(19,20)14-4-3-11(15)10-13(14)16/h3-4,10,12,17H,2,5-9H2,1H3.
What are the key properties of 2,4-dibromo-N-(1-propylpiperidin-4-yl)benzenesulfonamide?
2,4-dibromo-N-(1-propylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 440.20 g/mol, XLogP of 3.36, 5 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-propylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 61059201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).