5-amino-4-bromo-2-methyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide

C13H15BrN2O2S2 — CID 114625113

IUPAC5-amino-4-bromo-2-methyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide
SMILESCc1cc(Br)c(N)cc1S(=O)(=O)NC(C)c1cccs1
InChIInChI=1S/C13H15BrN2O2S2/c1-8-6-10(14)11(15)7-13(8)20(17,18)16-9(2)12-4-3-5-19-12/h3-7,9,16H,15H2,1-2H3
InChIKeyBSHFWZAVEGYCRK-UHFFFAOYSA-N
MW375.31 g/mol
LogP3.44
Rot. Bonds4

About 5-amino-4-bromo-2-methyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide

5-amino-4-bromo-2-methyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide (PubChem CID 114625113) has the molecular formula C13H15BrN2O2S2 and a molecular weight of 375.31 g/mol. Its IUPAC name is 5-amino-4-bromo-2-methyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-4-bromo-2-methyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide
PubChem CID114625113
Molecular FormulaC13H15BrN2O2S2
Molecular Weight375.31 g/mol
Exact Mass373.98
IUPAC Name5-amino-4-bromo-2-methyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide
SMILESCc1cc(Br)c(N)cc1S(=O)(=O)NC(C)c1cccs1
InChIInChI=1S/C13H15BrN2O2S2/c1-8-6-10(14)11(15)7-13(8)20(17,18)16-9(2)12-4-3-5-19-12/h3-7,9,16H,15H2,1-2H3
InChIKeyBSHFWZAVEGYCRK-UHFFFAOYSA-N
XLogP3.44
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-bromo-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 43534326
2,5-dibromo-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 43001328
2-bromo-4,5-dimethoxy-N-[(1S)-1-thiophen-2-ylethyl]benzenesulfonamide
CID 9188372
5-amino-3-fluoro-2-methyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 79897333
2-bromo-4-fluoro-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 47257678
5-amino-4-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 114625101
5-amino-4-bromo-2-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 114624888
2,3,5,6-tetramethyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 43001325
5-amino-4-bromo-N-but-3-yn-2-yl-2-methylbenzenesulfonamide
CID 114626339
5-amino-N-(1-thiophen-2-ylethyl)-1H-pyrazole-4-sulfonamide
CID 60810093
5-amino-4-bromo-N-[1-(1H-imidazol-2-yl)ethyl]-2-methylbenzenesulfonamide
CID 114626241
4-bromo-2,6-dichloro-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 43001330

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-bromo-2-methyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide?
The IUPAC name of 5-amino-4-bromo-2-methyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide (CID 114625113) is 5-amino-4-bromo-2-methyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-4-bromo-2-methyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-4-bromo-2-methyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide is Cc1cc(Br)c(N)cc1S(=O)(=O)NC(C)c1cccs1.
What is the InChIKey of 5-amino-4-bromo-2-methyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide?
The InChIKey is BSHFWZAVEGYCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2S2/c1-8-6-10(14)11(15)7-13(8)20(17,18)16-9(2)12-4-3-5-19-12/h3-7,9,16H,15H2,1-2H3.
What are the key properties of 5-amino-4-bromo-2-methyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide?
5-amino-4-bromo-2-methyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide has a molecular weight of 375.31 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-bromo-2-methyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 114625113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).