4-bromo-2,6-dichloro-N-(1-thiophen-2-ylethyl)benzenesulfonamide

C12H10BrCl2NO2S2 — CID 43001330

IUPAC4-bromo-2,6-dichloro-N-(1-thiophen-2-ylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl)c1cccs1
InChIInChI=1S/C12H10BrCl2NO2S2/c1-7(11-3-2-4-19-11)16-20(17,18)12-9(14)5-8(13)6-10(12)15/h2-7,16H,1H3
InChIKeyQVULHONTBLNRQZ-UHFFFAOYSA-N
MW415.16 g/mol
LogP4.86
Rot. Bonds4

About 4-bromo-2,6-dichloro-N-(1-thiophen-2-ylethyl)benzenesulfonamide

4-bromo-2,6-dichloro-N-(1-thiophen-2-ylethyl)benzenesulfonamide (PubChem CID 43001330) has the molecular formula C12H10BrCl2NO2S2 and a molecular weight of 415.16 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-(1-thiophen-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-(1-thiophen-2-ylethyl)benzenesulfonamide
PubChem CID43001330
Molecular FormulaC12H10BrCl2NO2S2
Molecular Weight415.16 g/mol
Exact Mass412.87
IUPAC Name4-bromo-2,6-dichloro-N-(1-thiophen-2-ylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl)c1cccs1
InChIInChI=1S/C12H10BrCl2NO2S2/c1-7(11-3-2-4-19-11)16-20(17,18)12-9(14)5-8(13)6-10(12)15/h2-7,16H,1H3
InChIKeyQVULHONTBLNRQZ-UHFFFAOYSA-N
XLogP4.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.16
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,5,6-tetramethyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 43001325
2,5-dibromo-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 43001328
5-bromo-N-(1-thiophen-2-ylethyl)thiophene-2-sulfonamide
CID 51169859
4-amino-2-bromo-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 43534326
2-bromo-4-fluoro-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 47257678
5-amino-4-bromo-2-methyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 114625113
2-bromo-4,5-dimethoxy-N-[(1S)-1-thiophen-2-ylethyl]benzenesulfonamide
CID 9188372
2,3,5,6-tetrafluoro-4-methoxy-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 18191910
4-bromo-2,6-dichloro-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 63420478
5-bromo-2-(ethylamino)-N-(1-thiophen-2-ylethyl)pyridine-3-sulfonamide
CID 62148004
4-(bromomethyl)-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 65481983
1-N-(2-methylpropyl)-4-N-[(1S)-1-thiophen-2-ylethyl]benzene-1,4-disulfonamide
CID 1459679

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-(1-thiophen-2-ylethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-(1-thiophen-2-ylethyl)benzenesulfonamide (CID 43001330) is 4-bromo-2,6-dichloro-N-(1-thiophen-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-(1-thiophen-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-(1-thiophen-2-ylethyl)benzenesulfonamide is CC(NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl)c1cccs1.
What is the InChIKey of 4-bromo-2,6-dichloro-N-(1-thiophen-2-ylethyl)benzenesulfonamide?
The InChIKey is QVULHONTBLNRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrCl2NO2S2/c1-7(11-3-2-4-19-11)16-20(17,18)12-9(14)5-8(13)6-10(12)15/h2-7,16H,1H3.
What are the key properties of 4-bromo-2,6-dichloro-N-(1-thiophen-2-ylethyl)benzenesulfonamide?
4-bromo-2,6-dichloro-N-(1-thiophen-2-ylethyl)benzenesulfonamide has a molecular weight of 415.16 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-(1-thiophen-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 43001330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).