5-amino-2-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzenesulfonamide

C14H15BrN2O2S2 — CID 65207195

IUPAC5-amino-2-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESNc1ccc(Br)c(S(=O)(=O)N(Cc2cccs2)C2CC2)c1
InChIInChI=1S/C14H15BrN2O2S2/c15-13-6-3-10(16)8-14(13)21(18,19)17(11-4-5-11)9-12-2-1-7-20-12/h1-3,6-8,11H,4-5,9,16H2
InChIKeyUZTKAPUVSRCWMD-UHFFFAOYSA-N
MW387.32 g/mol
LogP3.45
Rot. Bonds5

About 5-amino-2-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzenesulfonamide

5-amino-2-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 65207195) has the molecular formula C14H15BrN2O2S2 and a molecular weight of 387.32 g/mol. Its IUPAC name is 5-amino-2-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID65207195
Molecular FormulaC14H15BrN2O2S2
Molecular Weight387.32 g/mol
Exact Mass385.98
IUPAC Name5-amino-2-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESNc1ccc(Br)c(S(=O)(=O)N(Cc2cccs2)C2CC2)c1
InChIInChI=1S/C14H15BrN2O2S2/c15-13-6-3-10(16)8-14(13)21(18,19)17(11-4-5-11)9-12-2-1-7-20-12/h1-3,6-8,11H,4-5,9,16H2
InChIKeyUZTKAPUVSRCWMD-UHFFFAOYSA-N
XLogP3.45
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.32
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-bromo-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79476559
N-cyclopropyl-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 35389306
3-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47158478
3-amino-N-cyclopropyl-1-ethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide
CID 61111603
N-cyclopropyl-2-hydrazinyl-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide
CID 61449336
N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47158476
3-amino-4-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
CID 61107791
2-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide
CID 106545411
N-cyclopropyl-N-(thiophen-2-ylmethyl)propane-1-sulfonamide
CID 61383748
N-cyclopropyl-6-oxo-N-(thiophen-2-ylmethyl)-1H-pyridine-3-sulfonamide
CID 60960278
2-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide
CID 102752582
N-cyclopropyl-2,5-dimethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90496104

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 65207195) is 5-amino-2-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzenesulfonamide is Nc1ccc(Br)c(S(=O)(=O)N(Cc2cccs2)C2CC2)c1.
What is the InChIKey of 5-amino-2-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is UZTKAPUVSRCWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S2/c15-13-6-3-10(16)8-14(13)21(18,19)17(11-4-5-11)9-12-2-1-7-20-12/h1-3,6-8,11H,4-5,9,16H2.
What are the key properties of 5-amino-2-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
5-amino-2-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 387.32 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 65207195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).