4-amino-2,6-dibromo-N-cyclopropyl-N-(2-methoxyethyl)benzenesulfonamide

C12H16Br2N2O3S — CID 61109769

IUPAC4-amino-2,6-dibromo-N-cyclopropyl-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCN(C1CC1)S(=O)(=O)c1c(Br)cc(N)cc1Br
InChIInChI=1S/C12H16Br2N2O3S/c1-19-5-4-16(9-2-3-9)20(17,18)12-10(13)6-8(15)7-11(12)14/h6-7,9H,2-5,15H2,1H3
InChIKeyHWMXOASLKVBENH-UHFFFAOYSA-N
MW428.15 g/mol
LogP2.59
Rot. Bonds6

About 4-amino-2,6-dibromo-N-cyclopropyl-N-(2-methoxyethyl)benzenesulfonamide

4-amino-2,6-dibromo-N-cyclopropyl-N-(2-methoxyethyl)benzenesulfonamide (PubChem CID 61109769) has the molecular formula C12H16Br2N2O3S and a molecular weight of 428.15 g/mol. Its IUPAC name is 4-amino-2,6-dibromo-N-cyclopropyl-N-(2-methoxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dibromo-N-cyclopropyl-N-(2-methoxyethyl)benzenesulfonamide
PubChem CID61109769
Molecular FormulaC12H16Br2N2O3S
Molecular Weight428.15 g/mol
Exact Mass425.92
IUPAC Name4-amino-2,6-dibromo-N-cyclopropyl-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCN(C1CC1)S(=O)(=O)c1c(Br)cc(N)cc1Br
InChIInChI=1S/C12H16Br2N2O3S/c1-19-5-4-16(9-2-3-9)20(17,18)12-10(13)6-8(15)7-11(12)14/h6-7,9H,2-5,15H2,1H3
InChIKeyHWMXOASLKVBENH-UHFFFAOYSA-N
XLogP2.59
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.15
LogP ≤ 52.59
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

3-amino-N-cyclopropyl-5-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 63322186
2,5-dibromo-N-cyclopropyl-N-(2-methoxyethyl)-4-methylbenzenesulfonamide
CID 80708665
5-(aminomethyl)-3-bromo-N-cyclopropyl-N-(2-methoxyethyl)-2-methylbenzenesulfonamide
CID 81481397
3-bromo-N-cyclopropyl-5-(hydroxymethyl)-N-(2-methoxyethyl)-2-methylbenzenesulfonamide
CID 81480450
5-bromo-N-cyclopropyl-N-(2-methoxyethyl)thiophene-2-sulfonamide
CID 61067742
3-amino-N-cyclopropyl-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 61109405
5-amino-N-cyclopropyl-N-(2-methoxyethyl)-2-nitrobenzenesulfonamide
CID 62156814
4-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)benzenesulfonamide
CID 61451779
5-bromo-2-chloro-N-cyclopropyl-N-(2-methoxyethyl)pyridine-3-sulfonamide
CID 61061224
4-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide
CID 79588511
4-amino-2,6-dibromo-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
CID 81053036
4-amino-2-bromo-N-butyl-N-cyclopropylbenzenesulfonamide
CID 55139512

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dibromo-N-cyclopropyl-N-(2-methoxyethyl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dibromo-N-cyclopropyl-N-(2-methoxyethyl)benzenesulfonamide (CID 61109769) is 4-amino-2,6-dibromo-N-cyclopropyl-N-(2-methoxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dibromo-N-cyclopropyl-N-(2-methoxyethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dibromo-N-cyclopropyl-N-(2-methoxyethyl)benzenesulfonamide is COCCN(C1CC1)S(=O)(=O)c1c(Br)cc(N)cc1Br.
What is the InChIKey of 4-amino-2,6-dibromo-N-cyclopropyl-N-(2-methoxyethyl)benzenesulfonamide?
The InChIKey is HWMXOASLKVBENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2N2O3S/c1-19-5-4-16(9-2-3-9)20(17,18)12-10(13)6-8(15)7-11(12)14/h6-7,9H,2-5,15H2,1H3.
What are the key properties of 4-amino-2,6-dibromo-N-cyclopropyl-N-(2-methoxyethyl)benzenesulfonamide?
4-amino-2,6-dibromo-N-cyclopropyl-N-(2-methoxyethyl)benzenesulfonamide has a molecular weight of 428.15 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dibromo-N-cyclopropyl-N-(2-methoxyethyl)benzenesulfonamide is sourced from PubChem (CID 61109769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).