2-amino-5-fluoro-N,N-bis(prop-2-enyl)benzenesulfonamide

C12H15FN2O2S — CID 61113842

IUPAC2-amino-5-fluoro-N,N-bis(prop-2-enyl)benzenesulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)c1cc(F)ccc1N
InChIInChI=1S/C12H15FN2O2S/c1-3-7-15(8-4-2)18(16,17)12-9-10(13)5-6-11(12)14/h3-6,9H,1-2,7-8,14H2
InChIKeyRMUIKRYEDYUQIK-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.77
Rot. Bonds6

About 2-amino-5-fluoro-N,N-bis(prop-2-enyl)benzenesulfonamide

2-amino-5-fluoro-N,N-bis(prop-2-enyl)benzenesulfonamide (PubChem CID 61113842) has the molecular formula C12H15FN2O2S and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-amino-5-fluoro-N,N-bis(prop-2-enyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-fluoro-N,N-bis(prop-2-enyl)benzenesulfonamide
PubChem CID61113842
Molecular FormulaC12H15FN2O2S
Molecular Weight270.33 g/mol
Exact Mass270.08
IUPAC Name2-amino-5-fluoro-N,N-bis(prop-2-enyl)benzenesulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)c1cc(F)ccc1N
InChIInChI=1S/C12H15FN2O2S/c1-3-7-15(8-4-2)18(16,17)12-9-10(13)5-6-11(12)14/h3-6,9H,1-2,7-8,14H2
InChIKeyRMUIKRYEDYUQIK-UHFFFAOYSA-N
XLogP1.77
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-(methylaminomethyl)-N,N-bis(prop-2-enyl)benzenesulfonamide
CID 102920199
2-[(2-amino-5-fluorophenyl)sulfonyl-(2-amino-2-oxoethyl)amino]acetamide
CID 62921884
5-amino-4-bromo-2-fluoro-N,N-bis(prop-2-enyl)benzenesulfonamide
CID 116529864
2-amino-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61106619
4-amino-2,6-difluoro-N,N-bis(prop-2-enyl)benzenesulfonamide
CID 61113841
2-amino-N-[2-(dimethylamino)ethyl]-5-fluoro-N-methylbenzenesulfonamide
CID 55226364
2-amino-N-(cyclobutylmethyl)-N-ethyl-5-fluorobenzenesulfonamide
CID 107397005
2-[(2-amino-5-fluorophenyl)sulfonyl-butylamino]acetamide
CID 61105509
2-amino-5-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 60986382
6-amino-2,3-dimethyl-N,N-bis(prop-2-enyl)benzenesulfonamide
CID 61112900
2-amino-5-chloro-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide
CID 61115685
2,5-dibromo-N,N-bis(prop-2-enyl)benzenesulfonamide
CID 51888305

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-N,N-bis(prop-2-enyl)benzenesulfonamide?
The IUPAC name of 2-amino-5-fluoro-N,N-bis(prop-2-enyl)benzenesulfonamide (CID 61113842) is 2-amino-5-fluoro-N,N-bis(prop-2-enyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-5-fluoro-N,N-bis(prop-2-enyl)benzenesulfonamide?
The canonical SMILES for 2-amino-5-fluoro-N,N-bis(prop-2-enyl)benzenesulfonamide is C=CCN(CC=C)S(=O)(=O)c1cc(F)ccc1N.
What is the InChIKey of 2-amino-5-fluoro-N,N-bis(prop-2-enyl)benzenesulfonamide?
The InChIKey is RMUIKRYEDYUQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2S/c1-3-7-15(8-4-2)18(16,17)12-9-10(13)5-6-11(12)14/h3-6,9H,1-2,7-8,14H2.
What are the key properties of 2-amino-5-fluoro-N,N-bis(prop-2-enyl)benzenesulfonamide?
2-amino-5-fluoro-N,N-bis(prop-2-enyl)benzenesulfonamide has a molecular weight of 270.33 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-fluoro-N,N-bis(prop-2-enyl)benzenesulfonamide is sourced from PubChem (CID 61113842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).