2-amino-5-bromo-N-cyclopropyl-4-fluoro-N-(2-methylpropyl)benzenesulfonamide

C13H18BrFN2O2S — CID 106491500

IUPAC2-amino-5-bromo-N-cyclopropyl-4-fluoro-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CN(C1CC1)S(=O)(=O)c1cc(Br)c(F)cc1N
InChIInChI=1S/C13H18BrFN2O2S/c1-8(2)7-17(9-3-4-9)20(18,19)13-5-10(14)11(15)6-12(13)16/h5-6,8-9H,3-4,7,16H2,1-2H3
InChIKeyHLXRNNCYFNDOBZ-UHFFFAOYSA-N
MW365.27 g/mol
LogP2.98
Rot. Bonds5

About 2-amino-5-bromo-N-cyclopropyl-4-fluoro-N-(2-methylpropyl)benzenesulfonamide

2-amino-5-bromo-N-cyclopropyl-4-fluoro-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 106491500) has the molecular formula C13H18BrFN2O2S and a molecular weight of 365.27 g/mol. Its IUPAC name is 2-amino-5-bromo-N-cyclopropyl-4-fluoro-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-cyclopropyl-4-fluoro-N-(2-methylpropyl)benzenesulfonamide
PubChem CID106491500
Molecular FormulaC13H18BrFN2O2S
Molecular Weight365.27 g/mol
Exact Mass364.03
IUPAC Name2-amino-5-bromo-N-cyclopropyl-4-fluoro-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CN(C1CC1)S(=O)(=O)c1cc(Br)c(F)cc1N
InChIInChI=1S/C13H18BrFN2O2S/c1-8(2)7-17(9-3-4-9)20(18,19)13-5-10(14)11(15)6-12(13)16/h5-6,8-9H,3-4,7,16H2,1-2H3
InChIKeyHLXRNNCYFNDOBZ-UHFFFAOYSA-N
XLogP2.98
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.27
LogP ≤ 52.98
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-5-chloro-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide
CID 61111608
3-amino-5-bromo-N-cyclopropyl-2-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 114379068
4-amino-N-cyclopropyl-3-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 82844706
5-amino-N-cyclopropyl-2-fluoro-3-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 80646267
2-amino-5-bromo-N-(2-cyanoethyl)-4-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 106491549
2-amino-5-bromo-N,N-bis(cyclopropylmethyl)-4-fluorobenzenesulfonamide
CID 106491819
2-amino-5-bromo-4-fluoro-N,N-dimethylbenzenesulfonamide
CID 106491295
N-cyclopropyl-2-fluoro-4-(hydroxymethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 79187802
2-amino-5-bromo-4-fluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 106491530
2-amino-5-bromo-N-ethyl-4-fluoro-N-methylbenzenesulfonamide
CID 106491371
2-amino-5-bromo-4-fluoro-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide
CID 106491536
4-bromo-2-N-cyclopropyl-5-fluoro-2-N-(3-methylbutyl)benzene-1,2-diamine
CID 116735733

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-cyclopropyl-4-fluoro-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 2-amino-5-bromo-N-cyclopropyl-4-fluoro-N-(2-methylpropyl)benzenesulfonamide (CID 106491500) is 2-amino-5-bromo-N-cyclopropyl-4-fluoro-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-cyclopropyl-4-fluoro-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-cyclopropyl-4-fluoro-N-(2-methylpropyl)benzenesulfonamide is CC(C)CN(C1CC1)S(=O)(=O)c1cc(Br)c(F)cc1N.
What is the InChIKey of 2-amino-5-bromo-N-cyclopropyl-4-fluoro-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is HLXRNNCYFNDOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2O2S/c1-8(2)7-17(9-3-4-9)20(18,19)13-5-10(14)11(15)6-12(13)16/h5-6,8-9H,3-4,7,16H2,1-2H3.
What are the key properties of 2-amino-5-bromo-N-cyclopropyl-4-fluoro-N-(2-methylpropyl)benzenesulfonamide?
2-amino-5-bromo-N-cyclopropyl-4-fluoro-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 365.27 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-cyclopropyl-4-fluoro-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 106491500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).