2-(aminomethyl)-5-fluoro-N-(2-imidazol-1-ylethyl)benzenesulfonamide

C12H15FN4O2S — CID 106018063

IUPAC2-(aminomethyl)-5-fluoro-N-(2-imidazol-1-ylethyl)benzenesulfonamide
SMILESNCc1ccc(F)cc1S(=O)(=O)NCCn1ccnc1
InChIInChI=1S/C12H15FN4O2S/c13-11-2-1-10(8-14)12(7-11)20(18,19)16-4-6-17-5-3-15-9-17/h1-3,5,7,9,16H,4,6,8,14H2
InChIKeyLLGCMRBZRHQYRU-UHFFFAOYSA-N
MW298.34 g/mol
LogP0.46
Rot. Bonds6

About 2-(aminomethyl)-5-fluoro-N-(2-imidazol-1-ylethyl)benzenesulfonamide

2-(aminomethyl)-5-fluoro-N-(2-imidazol-1-ylethyl)benzenesulfonamide (PubChem CID 106018063) has the molecular formula C12H15FN4O2S and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-(aminomethyl)-5-fluoro-N-(2-imidazol-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-5-fluoro-N-(2-imidazol-1-ylethyl)benzenesulfonamide
PubChem CID106018063
Molecular FormulaC12H15FN4O2S
Molecular Weight298.34 g/mol
Exact Mass298.09
IUPAC Name2-(aminomethyl)-5-fluoro-N-(2-imidazol-1-ylethyl)benzenesulfonamide
SMILESNCc1ccc(F)cc1S(=O)(=O)NCCn1ccnc1
InChIInChI=1S/C12H15FN4O2S/c13-11-2-1-10(8-14)12(7-11)20(18,19)16-4-6-17-5-3-15-9-17/h1-3,5,7,9,16H,4,6,8,14H2
InChIKeyLLGCMRBZRHQYRU-UHFFFAOYSA-N
XLogP0.46
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-5-fluoro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide
CID 106029754
5-(aminomethyl)-2-ethyl-N-(2-imidazol-1-ylethyl)benzenesulfonamide
CID 106018079
2-(aminomethyl)-5-fluoro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide
CID 106077186
5-amino-2-ethyl-N-(2-imidazol-1-ylethyl)benzenesulfonamide
CID 61326120
3-(aminomethyl)-4-ethyl-N-(2-imidazol-1-ylethyl)benzenesulfonamide
CID 106018089
3-(aminomethyl)-4-chloro-5-fluoro-N-(2-imidazol-1-ylethyl)benzenesulfonamide
CID 106018152
3-(aminomethyl)-4-chloro-N-(2-imidazol-1-ylethyl)benzenesulfonamide
CID 106018159
2-bromo-4-fluoro-N-(4-imidazol-1-ylbutyl)benzenesulfonamide
CID 61069449
5-(4-fluorophenyl)sulfonyl-N-(2-imidazol-1-ylethyl)-2-propan-2-ylbenzenesulfonamide
CID 57430282
2-fluoro-N-(2-imidazol-1-ylethyl)-4,5-dimethoxybenzenesulfonamide
CID 35309403
5-(aminomethyl)-N-(2-imidazol-1-ylethyl)thiophene-2-sulfonamide
CID 54951556
4-amino-N-(2-imidazol-1-ylethyl)-2-methoxybenzenesulfonamide
CID 61325918

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-fluoro-N-(2-imidazol-1-ylethyl)benzenesulfonamide?
The IUPAC name of 2-(aminomethyl)-5-fluoro-N-(2-imidazol-1-ylethyl)benzenesulfonamide (CID 106018063) is 2-(aminomethyl)-5-fluoro-N-(2-imidazol-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-(aminomethyl)-5-fluoro-N-(2-imidazol-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-(aminomethyl)-5-fluoro-N-(2-imidazol-1-ylethyl)benzenesulfonamide is NCc1ccc(F)cc1S(=O)(=O)NCCn1ccnc1.
What is the InChIKey of 2-(aminomethyl)-5-fluoro-N-(2-imidazol-1-ylethyl)benzenesulfonamide?
The InChIKey is LLGCMRBZRHQYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O2S/c13-11-2-1-10(8-14)12(7-11)20(18,19)16-4-6-17-5-3-15-9-17/h1-3,5,7,9,16H,4,6,8,14H2.
What are the key properties of 2-(aminomethyl)-5-fluoro-N-(2-imidazol-1-ylethyl)benzenesulfonamide?
2-(aminomethyl)-5-fluoro-N-(2-imidazol-1-ylethyl)benzenesulfonamide has a molecular weight of 298.34 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-fluoro-N-(2-imidazol-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 106018063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).