4-amino-2,6-difluoro-N,N-bis(prop-2-enyl)benzenesulfonamide

C12H14F2N2O2S — CID 61113841

IUPAC4-amino-2,6-difluoro-N,N-bis(prop-2-enyl)benzenesulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)c1c(F)cc(N)cc1F
InChIInChI=1S/C12H14F2N2O2S/c1-3-5-16(6-4-2)19(17,18)12-10(13)7-9(15)8-11(12)14/h3-4,7-8H,1-2,5-6,15H2
InChIKeyZBRFUTITYJTNRZ-UHFFFAOYSA-N
MW288.32 g/mol
LogP1.91
Rot. Bonds6

About 4-amino-2,6-difluoro-N,N-bis(prop-2-enyl)benzenesulfonamide

4-amino-2,6-difluoro-N,N-bis(prop-2-enyl)benzenesulfonamide (PubChem CID 61113841) has the molecular formula C12H14F2N2O2S and a molecular weight of 288.32 g/mol. Its IUPAC name is 4-amino-2,6-difluoro-N,N-bis(prop-2-enyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-difluoro-N,N-bis(prop-2-enyl)benzenesulfonamide
PubChem CID61113841
Molecular FormulaC12H14F2N2O2S
Molecular Weight288.32 g/mol
Exact Mass288.07
IUPAC Name4-amino-2,6-difluoro-N,N-bis(prop-2-enyl)benzenesulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)c1c(F)cc(N)cc1F
InChIInChI=1S/C12H14F2N2O2S/c1-3-5-16(6-4-2)19(17,18)12-10(13)7-9(15)8-11(12)14/h3-4,7-8H,1-2,5-6,15H2
InChIKeyZBRFUTITYJTNRZ-UHFFFAOYSA-N
XLogP1.91
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 51.91
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-amino-4-bromo-2-fluoro-N,N-bis(prop-2-enyl)benzenesulfonamide
CID 116529864
4-amino-2,6-difluoro-N,N-dimethylbenzenesulfonamide
CID 60984863
2-amino-5-fluoro-N,N-bis(prop-2-enyl)benzenesulfonamide
CID 61113842
2,3,5,6-tetramethyl-N,N-bis(prop-2-enyl)benzenesulfonamide
CID 19682221
4-amino-N-(cyclopropylmethyl)-N-ethyl-2,6-difluorobenzenesulfonamide
CID 63956337
6-amino-2,3-dimethyl-N,N-bis(prop-2-enyl)benzenesulfonamide
CID 61112900
N-ethyl-4-fluoro-2,6-dimethyl-N-prop-2-enylbenzenesulfonamide
CID 107327365
4-bromo-2,6-dichloro-N,N-bis(prop-2-enyl)benzenesulfonamide
CID 51888307
2-[(2-fluoro-4,6-dimethylphenyl)sulfonyl-prop-2-enylamino]acetic acid
CID 166290411
4-amino-2,6-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79849886
4-amino-2,6-difluoro-N-methoxy-N-methylbenzenesulfonamide
CID 60985983
4-amino-2,6-difluoro-N-methyl-N-pentylbenzenesulfonamide
CID 54888877

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-difluoro-N,N-bis(prop-2-enyl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-difluoro-N,N-bis(prop-2-enyl)benzenesulfonamide (CID 61113841) is 4-amino-2,6-difluoro-N,N-bis(prop-2-enyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-difluoro-N,N-bis(prop-2-enyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-difluoro-N,N-bis(prop-2-enyl)benzenesulfonamide is C=CCN(CC=C)S(=O)(=O)c1c(F)cc(N)cc1F.
What is the InChIKey of 4-amino-2,6-difluoro-N,N-bis(prop-2-enyl)benzenesulfonamide?
The InChIKey is ZBRFUTITYJTNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O2S/c1-3-5-16(6-4-2)19(17,18)12-10(13)7-9(15)8-11(12)14/h3-4,7-8H,1-2,5-6,15H2.
What are the key properties of 4-amino-2,6-difluoro-N,N-bis(prop-2-enyl)benzenesulfonamide?
4-amino-2,6-difluoro-N,N-bis(prop-2-enyl)benzenesulfonamide has a molecular weight of 288.32 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-difluoro-N,N-bis(prop-2-enyl)benzenesulfonamide is sourced from PubChem (CID 61113841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).