4-amino-2,6-difluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide

C12H14F2N4O2S — CID 61141101

IUPAC4-amino-2,6-difluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
SMILESCN(Cc1nccn1C)S(=O)(=O)c1c(F)cc(N)cc1F
InChIInChI=1S/C12H14F2N4O2S/c1-17-4-3-16-11(17)7-18(2)21(19,20)12-9(13)5-8(15)6-10(12)14/h3-6H,7,15H2,1-2H3
InChIKeyUSQQSCSZLKUXGZ-UHFFFAOYSA-N
MW316.33 g/mol
LogP1.10
Rot. Bonds4

About 4-amino-2,6-difluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide

4-amino-2,6-difluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide (PubChem CID 61141101) has the molecular formula C12H14F2N4O2S and a molecular weight of 316.33 g/mol. Its IUPAC name is 4-amino-2,6-difluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-difluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
PubChem CID61141101
Molecular FormulaC12H14F2N4O2S
Molecular Weight316.33 g/mol
Exact Mass316.08
IUPAC Name4-amino-2,6-difluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
SMILESCN(Cc1nccn1C)S(=O)(=O)c1c(F)cc(N)cc1F
InChIInChI=1S/C12H14F2N4O2S/c1-17-4-3-16-11(17)7-18(2)21(19,20)12-9(13)5-8(15)6-10(12)14/h3-6H,7,15H2,1-2H3
InChIKeyUSQQSCSZLKUXGZ-UHFFFAOYSA-N
XLogP1.10
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-bromo-4-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 106491551
2-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 60664874
4-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 60664864
2-amino-N,4,5-trimethyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 61139198
3-amino-4-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 61138433
2-amino-4-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 61139388
2-amino-4-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 61140335
2,4-dibromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 61063161
2-(chloromethyl)-N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]thiophene-3-sulfonamide
CID 102750644
4-amino-2,6-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79849886
4-amino-2,6-difluoro-N,N-dimethylbenzenesulfonamide
CID 60984863
4-[methyl-[(1-methylimidazol-2-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid
CID 61063163

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-difluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-amino-2,6-difluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide (CID 61141101) is 4-amino-2,6-difluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-difluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-difluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide is CN(Cc1nccn1C)S(=O)(=O)c1c(F)cc(N)cc1F.
What is the InChIKey of 4-amino-2,6-difluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is USQQSCSZLKUXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N4O2S/c1-17-4-3-16-11(17)7-18(2)21(19,20)12-9(13)5-8(15)6-10(12)14/h3-6H,7,15H2,1-2H3.
What are the key properties of 4-amino-2,6-difluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide?
4-amino-2,6-difluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 316.33 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-difluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 61141101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).