4-(aminomethyl)-2-fluoro-N-(1H-imidazol-5-ylmethyl)benzenesulfonamide

C11H13FN4O2S — CID 106069704

IUPAC4-(aminomethyl)-2-fluoro-N-(1H-imidazol-5-ylmethyl)benzenesulfonamide
SMILESNCc1ccc(S(=O)(=O)NCc2cnc[nH]2)c(F)c1
InChIInChI=1S/C11H13FN4O2S/c12-10-3-8(4-13)1-2-11(10)19(17,18)16-6-9-5-14-7-15-9/h1-3,5,7,16H,4,6,13H2,(H,14,15)
InChIKeyKVGMNRCQFQHZRB-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.49
Rot. Bonds5

About 4-(aminomethyl)-2-fluoro-N-(1H-imidazol-5-ylmethyl)benzenesulfonamide

4-(aminomethyl)-2-fluoro-N-(1H-imidazol-5-ylmethyl)benzenesulfonamide (PubChem CID 106069704) has the molecular formula C11H13FN4O2S and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-(aminomethyl)-2-fluoro-N-(1H-imidazol-5-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-2-fluoro-N-(1H-imidazol-5-ylmethyl)benzenesulfonamide
PubChem CID106069704
Molecular FormulaC11H13FN4O2S
Molecular Weight284.32 g/mol
Exact Mass284.07
IUPAC Name4-(aminomethyl)-2-fluoro-N-(1H-imidazol-5-ylmethyl)benzenesulfonamide
SMILESNCc1ccc(S(=O)(=O)NCc2cnc[nH]2)c(F)c1
InChIInChI=1S/C11H13FN4O2S/c12-10-3-8(4-13)1-2-11(10)19(17,18)16-6-9-5-14-7-15-9/h1-3,5,7,16H,4,6,13H2,(H,14,15)
InChIKeyKVGMNRCQFQHZRB-UHFFFAOYSA-N
XLogP0.49
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2,4-difluoro-N-(1H-imidazol-5-ylmethyl)benzenesulfonamide
CID 107343653
2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-5-ylmethyl)benzenesulfonamide
CID 116529137
5-(aminomethyl)-3-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylbenzenesulfonamide
CID 106066514
N-[[4-(aminomethyl)phenyl]methyl]-4-chloro-2-fluorobenzenesulfonamide
CID 81094378
2-(ethylaminomethyl)-5-fluoro-N-(1H-imidazol-5-ylmethyl)benzenesulfonamide
CID 106069613
4-(aminomethyl)-2-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 106061759
4-(aminomethyl)-N-(2,3-dimethylbutyl)-2-fluorobenzenesulfonamide
CID 79190769
N-(1H-imidazol-5-ylmethyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106069732
5-[(sulfamoylamino)methyl]-1H-imidazole
CID 57034342
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 63359408
2-fluoro-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 106030969
4-(aminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 65231853

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-fluoro-N-(1H-imidazol-5-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-2-fluoro-N-(1H-imidazol-5-ylmethyl)benzenesulfonamide (CID 106069704) is 4-(aminomethyl)-2-fluoro-N-(1H-imidazol-5-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-2-fluoro-N-(1H-imidazol-5-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-2-fluoro-N-(1H-imidazol-5-ylmethyl)benzenesulfonamide is NCc1ccc(S(=O)(=O)NCc2cnc[nH]2)c(F)c1.
What is the InChIKey of 4-(aminomethyl)-2-fluoro-N-(1H-imidazol-5-ylmethyl)benzenesulfonamide?
The InChIKey is KVGMNRCQFQHZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O2S/c12-10-3-8(4-13)1-2-11(10)19(17,18)16-6-9-5-14-7-15-9/h1-3,5,7,16H,4,6,13H2,(H,14,15).
What are the key properties of 4-(aminomethyl)-2-fluoro-N-(1H-imidazol-5-ylmethyl)benzenesulfonamide?
4-(aminomethyl)-2-fluoro-N-(1H-imidazol-5-ylmethyl)benzenesulfonamide has a molecular weight of 284.32 g/mol, XLogP of 0.49, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-fluoro-N-(1H-imidazol-5-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106069704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).