1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine

C10H11BrClNO2S2 — CID 115767025

IUPAC1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine
SMILESCC1=CCN(S(=O)(=O)c2cc(Cl)c(Br)s2)CC1
InChIInChI=1S/C10H11BrClNO2S2/c1-7-2-4-13(5-3-7)17(14,15)9-6-8(12)10(11)16-9/h2,6H,3-5H2,1H3
InChIKeyMHAHADBIPXQOCW-UHFFFAOYSA-N
MW356.69 g/mol
LogP3.50
Rot. Bonds2

About 1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine

1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine (PubChem CID 115767025) has the molecular formula C10H11BrClNO2S2 and a molecular weight of 356.69 g/mol. Its IUPAC name is 1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine
PubChem CID115767025
Molecular FormulaC10H11BrClNO2S2
Molecular Weight356.69 g/mol
Exact Mass354.91
IUPAC Name1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine
SMILESCC1=CCN(S(=O)(=O)c2cc(Cl)c(Br)s2)CC1
InChIInChI=1S/C10H11BrClNO2S2/c1-7-2-4-13(5-3-7)17(14,15)9-6-8(12)10(11)16-9/h2,6H,3-5H2,1H3
InChIKeyMHAHADBIPXQOCW-UHFFFAOYSA-N
XLogP3.50
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.69
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-bromo-4-chloro-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide
CID 80130621
5-bromo-4-chloro-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 80131349
5-bromo-4-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 80131417
5-bromo-N-butyl-4-chloro-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 80580075
5-bromo-4-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 80580118
1-(5-bromothiophen-2-yl)sulfonyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 113339078
1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 115770403
1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 115770420
5-bromo-N-ethyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide
CID 55029068
1-(5-Bromo-4-methylthiophen-2-yl)sulfonyl-4-chloropiperidine
CID 79988877
5-bromo-N-butyl-N-(2-chloroethyl)-4-methylthiophene-2-sulfonamide
CID 79988993
1-(5-Bromo-4-chlorothiophen-2-yl)sulfonyl-3-methylpiperidine
CID 80130424

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine (CID 115767025) is 1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine is CC1=CCN(S(=O)(=O)c2cc(Cl)c(Br)s2)CC1.
What is the InChIKey of 1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is MHAHADBIPXQOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNO2S2/c1-7-2-4-13(5-3-7)17(14,15)9-6-8(12)10(11)16-9/h2,6H,3-5H2,1H3.
What are the key properties of 1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine?
1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 356.69 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 115767025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).