1-amino-N-[4-(aminomethyl)-2-fluorophenyl]methanesulfonamide

C8H12FN3O2S — CID 67318256

IUPAC1-amino-N-[4-(aminomethyl)-2-fluorophenyl]methanesulfonamide
SMILESNCc1ccc(NS(=O)(=O)CN)c(F)c1
InChIInChI=1S/C8H12FN3O2S/c9-7-3-6(4-10)1-2-8(7)12-15(13,14)5-11/h1-3,12H,4-5,10-11H2
InChIKeyNIOQKAPCFJHJEW-UHFFFAOYSA-N
MW233.27 g/mol
LogP-0.06
Rot. Bonds4

About 1-amino-N-[4-(aminomethyl)-2-fluorophenyl]methanesulfonamide

1-amino-N-[4-(aminomethyl)-2-fluorophenyl]methanesulfonamide (PubChem CID 67318256) has the molecular formula C8H12FN3O2S and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-amino-N-[4-(aminomethyl)-2-fluorophenyl]methanesulfonamide.

Molecular Properties

Compound Name1-amino-N-[4-(aminomethyl)-2-fluorophenyl]methanesulfonamide
PubChem CID67318256
Molecular FormulaC8H12FN3O2S
Molecular Weight233.27 g/mol
Exact Mass233.06
IUPAC Name1-amino-N-[4-(aminomethyl)-2-fluorophenyl]methanesulfonamide
SMILESNCc1ccc(NS(=O)(=O)CN)c(F)c1
InChIInChI=1S/C8H12FN3O2S/c9-7-3-6(4-10)1-2-8(7)12-15(13,14)5-11/h1-3,12H,4-5,10-11H2
InChIKeyNIOQKAPCFJHJEW-UHFFFAOYSA-N
XLogP-0.06
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-(tert-butylsulfamoyl)-2-fluoroaniline
CID 114804109
1-[4-(aminomethyl)phenyl]-N-(2-fluoro-4-methylphenyl)methanesulfonamide
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5-(aminomethyl)-2-bromo-N-(4-bromo-2-fluorophenyl)benzenesulfonamide
CID 106058466
1-[4-(aminomethyl)phenyl]-N-(2-fluorophenyl)methanesulfonamide
CID 29291585
2-amino-N-(4-chloro-2-fluorophenyl)ethanesulfonamide
CID 61472414
[3-fluoro-4-(methylsulfonylmethyl)phenyl]methanamine
CID 64696823
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1-methylsulfonylmethanesulfonamide
CID 82840107
4-(aminomethyl)-N-(2,5-dibromophenyl)-2-fluorobenzenesulfonamide
CID 106007285
2-[3-fluoro-4-(methanesulfonamido)phenyl]acetamide
CID 68721183
1-[4-(aminomethyl)phenyl]-N-(2,4-dichlorophenyl)methanesulfonamide
CID 106057447
4-(aminomethyl)-2-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 106061759
[4-(tert-butylsulfonylmethyl)-3-fluorophenyl]methanamine
CID 64696756

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[4-(aminomethyl)-2-fluorophenyl]methanesulfonamide?
The IUPAC name of 1-amino-N-[4-(aminomethyl)-2-fluorophenyl]methanesulfonamide (CID 67318256) is 1-amino-N-[4-(aminomethyl)-2-fluorophenyl]methanesulfonamide.
What is the SMILES notation for 1-amino-N-[4-(aminomethyl)-2-fluorophenyl]methanesulfonamide?
The canonical SMILES for 1-amino-N-[4-(aminomethyl)-2-fluorophenyl]methanesulfonamide is NCc1ccc(NS(=O)(=O)CN)c(F)c1.
What is the InChIKey of 1-amino-N-[4-(aminomethyl)-2-fluorophenyl]methanesulfonamide?
The InChIKey is NIOQKAPCFJHJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O2S/c9-7-3-6(4-10)1-2-8(7)12-15(13,14)5-11/h1-3,12H,4-5,10-11H2.
What are the key properties of 1-amino-N-[4-(aminomethyl)-2-fluorophenyl]methanesulfonamide?
1-amino-N-[4-(aminomethyl)-2-fluorophenyl]methanesulfonamide has a molecular weight of 233.27 g/mol, XLogP of -0.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[4-(aminomethyl)-2-fluorophenyl]methanesulfonamide is sourced from PubChem (CID 67318256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).