N-(4-bromo-3-chlorophenyl)-N-ethylthiophene-2-sulfonamide

C12H11BrClNO2S2 — CID 100551123

IUPACN-(4-bromo-3-chlorophenyl)-N-ethylthiophene-2-sulfonamide
SMILESCCN(c1ccc(Br)c(Cl)c1)S(=O)(=O)c1cccs1
InChIInChI=1S/C12H11BrClNO2S2/c1-2-15(9-5-6-10(13)11(14)8-9)19(16,17)12-4-3-7-18-12/h3-8H,2H2,1H3
InChIKeyPSFITZPGPRGCDI-UHFFFAOYSA-N
MW380.72 g/mol
LogP4.38
Rot. Bonds4

About N-(4-bromo-3-chlorophenyl)-N-ethylthiophene-2-sulfonamide

N-(4-bromo-3-chlorophenyl)-N-ethylthiophene-2-sulfonamide (PubChem CID 100551123) has the molecular formula C12H11BrClNO2S2 and a molecular weight of 380.72 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-N-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-N-ethylthiophene-2-sulfonamide
PubChem CID100551123
Molecular FormulaC12H11BrClNO2S2
Molecular Weight380.72 g/mol
Exact Mass378.91
IUPAC NameN-(4-bromo-3-chlorophenyl)-N-ethylthiophene-2-sulfonamide
SMILESCCN(c1ccc(Br)c(Cl)c1)S(=O)(=O)c1cccs1
InChIInChI=1S/C12H11BrClNO2S2/c1-2-15(9-5-6-10(13)11(14)8-9)19(16,17)12-4-3-7-18-12/h3-8H,2H2,1H3
InChIKeyPSFITZPGPRGCDI-UHFFFAOYSA-N
XLogP4.38
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.72
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-N-ethylthiophene-2-sulfonamide
CID 100550027
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylthiophene-2-sulfonamide
CID 100550390
N-(3-amino-4-methoxyphenyl)-N-ethylthiophene-2-sulfonamide
CID 39452560
5-bromo-4-chloro-N-ethyl-N-(3-methylphenyl)thiophene-2-sulfonamide
CID 80578542
N-(3-chloro-4-methoxyphenyl)-N-prop-2-enylthiophene-2-sulfonamide
CID 100549879
N-ethyl-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide
CID 100550599
methyl 2-chloro-5-[(2-ethoxy-2-oxoethyl)-thiophen-2-ylsulfonylamino]benzoate
CID 100551525
N-(4-bromo-3-chlorophenyl)thiophene-2-sulfonamide
CID 2207523
N-(2-aminophenyl)-N-ethylthiophene-2-sulfonamide
CID 62102311
N-ethyl-N-methylthiophene-2-sulfonamide;hydrochloride
CID 130616398
N-(3-chloro-4-formylphenyl)-N-thiophen-2-ylsulfonylthiophene-2-sulfonamide
CID 142053557
5-bromo-4-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)thiophene-2-sulfonamide
CID 80580037

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-N-ethylthiophene-2-sulfonamide?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-N-ethylthiophene-2-sulfonamide (CID 100551123) is N-(4-bromo-3-chlorophenyl)-N-ethylthiophene-2-sulfonamide.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-N-ethylthiophene-2-sulfonamide?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-N-ethylthiophene-2-sulfonamide is CCN(c1ccc(Br)c(Cl)c1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-N-ethylthiophene-2-sulfonamide?
The InChIKey is PSFITZPGPRGCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClNO2S2/c1-2-15(9-5-6-10(13)11(14)8-9)19(16,17)12-4-3-7-18-12/h3-8H,2H2,1H3.
What are the key properties of N-(4-bromo-3-chlorophenyl)-N-ethylthiophene-2-sulfonamide?
N-(4-bromo-3-chlorophenyl)-N-ethylthiophene-2-sulfonamide has a molecular weight of 380.72 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chlorophenyl)-N-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 100551123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).