3-bromo-4-(1-thiophen-2-ylethylamino)benzenesulfonamide

C12H13BrN2O2S2 — CID 43745716

IUPAC3-bromo-4-(1-thiophen-2-ylethylamino)benzenesulfonamide
SMILESCC(Nc1ccc(S(N)(=O)=O)cc1Br)c1cccs1
InChIInChI=1S/C12H13BrN2O2S2/c1-8(12-3-2-6-18-12)15-11-5-4-9(7-10(11)13)19(14,16)17/h2-8,15H,1H3,(H2,14,16,17)
InChIKeyJYSKBFXJYYZFRW-UHFFFAOYSA-N
MW361.29 g/mol
LogP3.33
Rot. Bonds4

About 3-bromo-4-(1-thiophen-2-ylethylamino)benzenesulfonamide

3-bromo-4-(1-thiophen-2-ylethylamino)benzenesulfonamide (PubChem CID 43745716) has the molecular formula C12H13BrN2O2S2 and a molecular weight of 361.29 g/mol. Its IUPAC name is 3-bromo-4-(1-thiophen-2-ylethylamino)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-(1-thiophen-2-ylethylamino)benzenesulfonamide
PubChem CID43745716
Molecular FormulaC12H13BrN2O2S2
Molecular Weight361.29 g/mol
Exact Mass359.96
IUPAC Name3-bromo-4-(1-thiophen-2-ylethylamino)benzenesulfonamide
SMILESCC(Nc1ccc(S(N)(=O)=O)cc1Br)c1cccs1
InChIInChI=1S/C12H13BrN2O2S2/c1-8(12-3-2-6-18-12)15-11-5-4-9(7-10(11)13)19(14,16)17/h2-8,15H,1H3,(H2,14,16,17)
InChIKeyJYSKBFXJYYZFRW-UHFFFAOYSA-N
XLogP3.33
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.29
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-[1-(3-bromothiophen-2-yl)ethylamino]benzenesulfonamide
CID 43790989
3-bromo-4-(propan-2-ylamino)benzenesulfonamide
CID 43745736
N-methyl-3-nitro-4-[[(1S)-1-thiophen-2-ylethyl]amino]benzenesulfonamide
CID 9109316
3-amino-N,N-dimethyl-4-(1-thiophen-2-ylethylamino)benzenesulfonamide
CID 43534380
3-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]benzenesulfonamide
CID 81398945
3-bromo-4-(pentan-2-ylamino)benzenesulfonamide
CID 43745707
5-bromo-6-(1-thiophen-2-ylethylamino)-1,3-dihydrobenzimidazol-2-one
CID 43741369
4-bromo-2-ethyl-N-(1-thiophen-2-ylethyl)aniline
CID 81292571
3-bromo-N-(1-thiophen-2-ylethyl)pyridin-4-amine
CID 104776798
4-bromo-5-fluoro-2-N-(1-thiophen-2-ylethyl)benzene-1,2-diamine
CID 116735510
5-bromo-2-methyl-N-(1-thiophen-2-ylethyl)aniline
CID 43729607
2-methyl-1-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine
CID 43534379

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(1-thiophen-2-ylethylamino)benzenesulfonamide?
The IUPAC name of 3-bromo-4-(1-thiophen-2-ylethylamino)benzenesulfonamide (CID 43745716) is 3-bromo-4-(1-thiophen-2-ylethylamino)benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-(1-thiophen-2-ylethylamino)benzenesulfonamide?
The canonical SMILES for 3-bromo-4-(1-thiophen-2-ylethylamino)benzenesulfonamide is CC(Nc1ccc(S(N)(=O)=O)cc1Br)c1cccs1.
What is the InChIKey of 3-bromo-4-(1-thiophen-2-ylethylamino)benzenesulfonamide?
The InChIKey is JYSKBFXJYYZFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2S2/c1-8(12-3-2-6-18-12)15-11-5-4-9(7-10(11)13)19(14,16)17/h2-8,15H,1H3,(H2,14,16,17).
What are the key properties of 3-bromo-4-(1-thiophen-2-ylethylamino)benzenesulfonamide?
3-bromo-4-(1-thiophen-2-ylethylamino)benzenesulfonamide has a molecular weight of 361.29 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(1-thiophen-2-ylethylamino)benzenesulfonamide is sourced from PubChem (CID 43745716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).