2-amino-4-bromo-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide

C12H17BrN2O2S — CID 43568793

IUPAC2-amino-4-bromo-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide
SMILESCC(C1CC1)N(C)S(=O)(=O)c1ccc(Br)cc1N
InChIInChI=1S/C12H17BrN2O2S/c1-8(9-3-4-9)15(2)18(16,17)12-6-5-10(13)7-11(12)14/h5-9H,3-4,14H2,1-2H3
InChIKeyOELBLWQRSZJFBZ-UHFFFAOYSA-N
MW333.25 g/mol
LogP2.45
Rot. Bonds4

About 2-amino-4-bromo-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide

2-amino-4-bromo-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide (PubChem CID 43568793) has the molecular formula C12H17BrN2O2S and a molecular weight of 333.25 g/mol. Its IUPAC name is 2-amino-4-bromo-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide
PubChem CID43568793
Molecular FormulaC12H17BrN2O2S
Molecular Weight333.25 g/mol
Exact Mass332.02
IUPAC Name2-amino-4-bromo-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide
SMILESCC(C1CC1)N(C)S(=O)(=O)c1ccc(Br)cc1N
InChIInChI=1S/C12H17BrN2O2S/c1-8(9-3-4-9)15(2)18(16,17)12-6-5-10(13)7-11(12)14/h5-9H,3-4,14H2,1-2H3
InChIKeyOELBLWQRSZJFBZ-UHFFFAOYSA-N
XLogP2.45
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.25
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-bromo-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 43257152
4-bromo-1-N-(1-cyclopropylethyl)-1-N-methylbenzene-1,2-diamine
CID 43568860
2-amino-4-bromo-N-(1-cyclopropylpropan-2-yl)benzenesulfonamide
CID 63988907
5-bromo-N-(1-cyclopropylethyl)-2-hydrazinyl-N-methylpyridine-3-sulfonamide
CID 61299703
4-bromo-N-(1-cyclopropylethyl)-N,3-dimethylbenzenesulfonamide
CID 54920579
5-bromo-2-butan-2-ylsulfonylaniline
CID 81185112
2-amino-4-bromo-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 43258905
4-tert-butyl-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide
CID 134018131
N-[(1R)-1-cyclopropylethyl]-2-fluoro-N-methylbenzenesulfonamide
CID 93042358
5-bromo-2-cyclopentylsulfonylaniline
CID 81185345
4-[1-cyclopropylethyl(methyl)sulfamoyl]-3-fluorobenzoic acid
CID 79187636
1-(2-amino-4-bromophenyl)sulfonyl-N,N-dimethylpyrrolidin-3-amine
CID 63164439

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 2-amino-4-bromo-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide (CID 43568793) is 2-amino-4-bromo-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-4-bromo-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-4-bromo-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide is CC(C1CC1)N(C)S(=O)(=O)c1ccc(Br)cc1N.
What is the InChIKey of 2-amino-4-bromo-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide?
The InChIKey is OELBLWQRSZJFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2S/c1-8(9-3-4-9)15(2)18(16,17)12-6-5-10(13)7-11(12)14/h5-9H,3-4,14H2,1-2H3.
What are the key properties of 2-amino-4-bromo-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide?
2-amino-4-bromo-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide has a molecular weight of 333.25 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 43568793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).