5-bromo-4-chloro-N-(piperidin-3-ylmethyl)-N-propylthiophene-2-sulfonamide

C13H20BrClN2O2S2 — CID 106631369

IUPAC5-bromo-4-chloro-N-(piperidin-3-ylmethyl)-N-propylthiophene-2-sulfonamide
SMILESCCCN(CC1CCCNC1)S(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C13H20BrClN2O2S2/c1-2-6-17(9-10-4-3-5-16-8-10)21(18,19)12-7-11(15)13(14)20-12/h7,10,16H,2-6,8-9H2,1H3
InChIKeyONSRJLQDDQRNMB-UHFFFAOYSA-N
MW415.81 g/mol
LogP3.56
Rot. Bonds6

About 5-bromo-4-chloro-N-(piperidin-3-ylmethyl)-N-propylthiophene-2-sulfonamide

5-bromo-4-chloro-N-(piperidin-3-ylmethyl)-N-propylthiophene-2-sulfonamide (PubChem CID 106631369) has the molecular formula C13H20BrClN2O2S2 and a molecular weight of 415.81 g/mol. Its IUPAC name is 5-bromo-4-chloro-N-(piperidin-3-ylmethyl)-N-propylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-chloro-N-(piperidin-3-ylmethyl)-N-propylthiophene-2-sulfonamide
PubChem CID106631369
Molecular FormulaC13H20BrClN2O2S2
Molecular Weight415.81 g/mol
Exact Mass413.98
IUPAC Name5-bromo-4-chloro-N-(piperidin-3-ylmethyl)-N-propylthiophene-2-sulfonamide
SMILESCCCN(CC1CCCNC1)S(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C13H20BrClN2O2S2/c1-2-6-17(9-10-4-3-5-16-8-10)21(18,19)12-7-11(15)13(14)20-12/h7,10,16H,2-6,8-9H2,1H3
InChIKeyONSRJLQDDQRNMB-UHFFFAOYSA-N
XLogP3.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.81
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-butyl-4-chloro-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide
CID 106609210
5-chloro-N-ethyl-4-methyl-N-(piperidin-3-ylmethyl)thiophene-2-sulfonamide
CID 106631097
5-cyano-N-(piperidin-3-ylmethyl)-N-propylthiophene-2-sulfonamide
CID 106273114
5-bromo-4-chloro-N-(2-hydroxyethyl)-N-propylthiophene-2-sulfonamide
CID 80577825
4-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzenesulfonamide
CID 106631281
5-bromo-3-methyl-N-(piperidin-3-ylmethyl)-N-propyltriazole-4-sulfonamide
CID 106631322
N-(piperidin-3-ylmethyl)-N-propylcyclopentanesulfonamide
CID 106631385
3-[[methylsulfamoyl(propyl)amino]methyl]piperidine
CID 106631336
5-chloro-N,4-dimethyl-N-(piperidin-3-ylmethyl)thiophene-2-sulfonamide
CID 106630812
1-cyclohexyl-N-(piperidin-3-ylmethyl)-N-propylmethanesulfonamide
CID 106631342
N-(piperidin-3-ylmethyl)-N-propylbutane-1-sulfonamide
CID 106631296
2,5-dibromo-N-(piperidin-3-ylmethyl)-N-propylthiophene-3-carboxamide
CID 107963808

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-N-(piperidin-3-ylmethyl)-N-propylthiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-chloro-N-(piperidin-3-ylmethyl)-N-propylthiophene-2-sulfonamide (CID 106631369) is 5-bromo-4-chloro-N-(piperidin-3-ylmethyl)-N-propylthiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-chloro-N-(piperidin-3-ylmethyl)-N-propylthiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-chloro-N-(piperidin-3-ylmethyl)-N-propylthiophene-2-sulfonamide is CCCN(CC1CCCNC1)S(=O)(=O)c1cc(Cl)c(Br)s1.
What is the InChIKey of 5-bromo-4-chloro-N-(piperidin-3-ylmethyl)-N-propylthiophene-2-sulfonamide?
The InChIKey is ONSRJLQDDQRNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrClN2O2S2/c1-2-6-17(9-10-4-3-5-16-8-10)21(18,19)12-7-11(15)13(14)20-12/h7,10,16H,2-6,8-9H2,1H3.
What are the key properties of 5-bromo-4-chloro-N-(piperidin-3-ylmethyl)-N-propylthiophene-2-sulfonamide?
5-bromo-4-chloro-N-(piperidin-3-ylmethyl)-N-propylthiophene-2-sulfonamide has a molecular weight of 415.81 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-N-(piperidin-3-ylmethyl)-N-propylthiophene-2-sulfonamide is sourced from PubChem (CID 106631369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).