N-[5-[(3-aminothiophen-2-yl)methylamino]-2-fluorophenyl]methanesulfonamide

C12H14FN3O2S2 — CID 66387952

IUPACN-[5-[(3-aminothiophen-2-yl)methylamino]-2-fluorophenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(NCc2sccc2N)ccc1F
InChIInChI=1S/C12H14FN3O2S2/c1-20(17,18)16-11-6-8(2-3-9(11)13)15-7-12-10(14)4-5-19-12/h2-6,15-16H,7,14H2,1H3
InChIKeyBWMSGXTXFJDMND-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.45
Rot. Bonds5

About N-[5-[(3-aminothiophen-2-yl)methylamino]-2-fluorophenyl]methanesulfonamide

N-[5-[(3-aminothiophen-2-yl)methylamino]-2-fluorophenyl]methanesulfonamide (PubChem CID 66387952) has the molecular formula C12H14FN3O2S2 and a molecular weight of 315.40 g/mol. Its IUPAC name is N-[5-[(3-aminothiophen-2-yl)methylamino]-2-fluorophenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[(3-aminothiophen-2-yl)methylamino]-2-fluorophenyl]methanesulfonamide
PubChem CID66387952
Molecular FormulaC12H14FN3O2S2
Molecular Weight315.40 g/mol
Exact Mass315.05
IUPAC NameN-[5-[(3-aminothiophen-2-yl)methylamino]-2-fluorophenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(NCc2sccc2N)ccc1F
InChIInChI=1S/C12H14FN3O2S2/c1-20(17,18)16-11-6-8(2-3-9(11)13)15-7-12-10(14)4-5-19-12/h2-6,15-16H,7,14H2,1H3
InChIKeyBWMSGXTXFJDMND-UHFFFAOYSA-N
XLogP2.45
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(3-bromothiophen-2-yl)methylamino]-2-fluorophenyl]methanesulfonamide
CID 115380061
2-[(3-chloro-4-fluoroanilino)methyl]thiophen-3-amine
CID 66387522
5-[(3-aminothiophen-2-yl)methylamino]-2-fluorobenzoic acid
CID 66385758
methyl 5-[(3-aminothiophen-2-yl)methylamino]-2-fluorobenzoate
CID 66386748
tert-butyl N-[3-[(3-aminothiophen-2-yl)methylamino]-4-fluorophenyl]carbamate
CID 107241046
2-[(2,5-difluoroanilino)methyl]thiophen-3-amine
CID 66387497
2-[(4-chloroanilino)methyl]thiophen-3-amine
CID 66386898
N-[2-fluoro-5-(2-methylpropylamino)phenyl]methanesulfonamide
CID 43731832
2-[[4-methyl-3-(trifluoromethyl)anilino]methyl]thiophen-3-amine
CID 66387792
N-[2-fluoro-5-(furan-3-ylmethylamino)phenyl]methanesulfonamide
CID 63204406
2-[(4-ethylsulfonylanilino)methyl]thiophen-3-amine
CID 66385944
N-[2-fluoro-5-(1H-imidazol-5-ylmethylamino)phenyl]methanesulfonamide
CID 62761228

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-aminothiophen-2-yl)methylamino]-2-fluorophenyl]methanesulfonamide?
The IUPAC name of N-[5-[(3-aminothiophen-2-yl)methylamino]-2-fluorophenyl]methanesulfonamide (CID 66387952) is N-[5-[(3-aminothiophen-2-yl)methylamino]-2-fluorophenyl]methanesulfonamide.
What is the SMILES notation for N-[5-[(3-aminothiophen-2-yl)methylamino]-2-fluorophenyl]methanesulfonamide?
The canonical SMILES for N-[5-[(3-aminothiophen-2-yl)methylamino]-2-fluorophenyl]methanesulfonamide is CS(=O)(=O)Nc1cc(NCc2sccc2N)ccc1F.
What is the InChIKey of N-[5-[(3-aminothiophen-2-yl)methylamino]-2-fluorophenyl]methanesulfonamide?
The InChIKey is BWMSGXTXFJDMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2S2/c1-20(17,18)16-11-6-8(2-3-9(11)13)15-7-12-10(14)4-5-19-12/h2-6,15-16H,7,14H2,1H3.
What are the key properties of N-[5-[(3-aminothiophen-2-yl)methylamino]-2-fluorophenyl]methanesulfonamide?
N-[5-[(3-aminothiophen-2-yl)methylamino]-2-fluorophenyl]methanesulfonamide has a molecular weight of 315.40 g/mol, XLogP of 2.45, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-aminothiophen-2-yl)methylamino]-2-fluorophenyl]methanesulfonamide is sourced from PubChem (CID 66387952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).