4-bromo-2-chloro-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide

C14H15BrClNO2S2 — CID 80524040

IUPAC4-bromo-2-chloro-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide
SMILESCC(C)(CNS(=O)(=O)c1ccc(Br)cc1Cl)c1cccs1
InChIInChI=1S/C14H15BrClNO2S2/c1-14(2,13-4-3-7-20-13)9-17-21(18,19)12-6-5-10(15)8-11(12)16/h3-8,17H,9H2,1-2H3
InChIKeyWMFKWITZHXZIMH-UHFFFAOYSA-N
MW408.77 g/mol
LogP4.42
Rot. Bonds5

About 4-bromo-2-chloro-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide

4-bromo-2-chloro-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide (PubChem CID 80524040) has the molecular formula C14H15BrClNO2S2 and a molecular weight of 408.77 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide
PubChem CID80524040
Molecular FormulaC14H15BrClNO2S2
Molecular Weight408.77 g/mol
Exact Mass406.94
IUPAC Name4-bromo-2-chloro-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide
SMILESCC(C)(CNS(=O)(=O)c1ccc(Br)cc1Cl)c1cccs1
InChIInChI=1S/C14H15BrClNO2S2/c1-14(2,13-4-3-7-20-13)9-17-21(18,19)12-6-5-10(15)8-11(12)16/h3-8,17H,9H2,1-2H3
InChIKeyWMFKWITZHXZIMH-UHFFFAOYSA-N
XLogP4.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.77
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(4-bromo-2,2-dimethylbutyl)-2-chlorobenzenesulfonamide
CID 106145779
2-amino-4-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide
CID 80526301
2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide
CID 79477673
4-bromo-2-chloro-N-(2-ethyl-2-hydroxybutyl)benzenesulfonamide
CID 65110641
4-bromo-2-chloro-N-[2-(chloromethyl)-2-ethylbutyl]benzenesulfonamide
CID 106256254
2-(aminomethyl)-N-(2-methyl-2-thiophen-2-ylpropyl)thiophene-3-sulfonamide
CID 106072628
4-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide
CID 110731451
4-(aminomethyl)-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide
CID 80522231
2-(methylamino)-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-3-sulfonamide
CID 80524392
2-amino-6-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide
CID 80526302
N-[[2-(aminomethyl)phenyl]methyl]-4-bromo-2-chlorobenzenesulfonamide
CID 62949907
N'-(4-bromo-2-chlorophenyl)sulfonylthiophene-2-carbohydrazide
CID 8617069

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide (CID 80524040) is 4-bromo-2-chloro-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide is CC(C)(CNS(=O)(=O)c1ccc(Br)cc1Cl)c1cccs1.
What is the InChIKey of 4-bromo-2-chloro-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide?
The InChIKey is WMFKWITZHXZIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNO2S2/c1-14(2,13-4-3-7-20-13)9-17-21(18,19)12-6-5-10(15)8-11(12)16/h3-8,17H,9H2,1-2H3.
What are the key properties of 4-bromo-2-chloro-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide?
4-bromo-2-chloro-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide has a molecular weight of 408.77 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 80524040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).