2-(aminomethyl)-N-[3-(trifluoromethyl)phenyl]thiophene-3-sulfonamide

C12H11F3N2O2S2 — CID 106057279

IUPAC2-(aminomethyl)-N-[3-(trifluoromethyl)phenyl]thiophene-3-sulfonamide
SMILESNCc1sccc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H11F3N2O2S2/c13-12(14,15)8-2-1-3-9(6-8)17-21(18,19)11-4-5-20-10(11)7-16/h1-6,17H,7,16H2
InChIKeySJXHDTCFTCTRHZ-UHFFFAOYSA-N
MW336.36 g/mol
LogP3.03
Rot. Bonds4

About 2-(aminomethyl)-N-[3-(trifluoromethyl)phenyl]thiophene-3-sulfonamide

2-(aminomethyl)-N-[3-(trifluoromethyl)phenyl]thiophene-3-sulfonamide (PubChem CID 106057279) has the molecular formula C12H11F3N2O2S2 and a molecular weight of 336.36 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[3-(trifluoromethyl)phenyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[3-(trifluoromethyl)phenyl]thiophene-3-sulfonamide
PubChem CID106057279
Molecular FormulaC12H11F3N2O2S2
Molecular Weight336.36 g/mol
Exact Mass336.02
IUPAC Name2-(aminomethyl)-N-[3-(trifluoromethyl)phenyl]thiophene-3-sulfonamide
SMILESNCc1sccc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H11F3N2O2S2/c13-12(14,15)8-2-1-3-9(6-8)17-21(18,19)11-4-5-20-10(11)7-16/h1-6,17H,7,16H2
InChIKeySJXHDTCFTCTRHZ-UHFFFAOYSA-N
XLogP3.03
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3,5-bis(trifluoromethyl)phenyl]-2-(sulfanylmethyl)thiophene-3-sulfonamide
CID 20624333
2-(aminomethyl)-N-(3,4-dichlorophenyl)thiophene-3-sulfonamide
CID 106059491
N-[3-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide
CID 3814100
2-fluoro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 5088355
2,3-dichloro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2107587
3,5-ditert-butyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 4546210
2-(aminomethyl)-N-(5-chloro-2-fluorophenyl)thiophene-3-sulfonamide
CID 106030355
2-methoxy-4,5-dimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 113098664
1-bromo-N-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 83092690
2,5-bis(2,2,2-trifluoroethoxy)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3863989
1-N-methyl-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-disulfonamide
CID 49186446
6-bromo-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-sulfonamide
CID 60605154

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[3-(trifluoromethyl)phenyl]thiophene-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-[3-(trifluoromethyl)phenyl]thiophene-3-sulfonamide (CID 106057279) is 2-(aminomethyl)-N-[3-(trifluoromethyl)phenyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-[3-(trifluoromethyl)phenyl]thiophene-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-[3-(trifluoromethyl)phenyl]thiophene-3-sulfonamide is NCc1sccc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(aminomethyl)-N-[3-(trifluoromethyl)phenyl]thiophene-3-sulfonamide?
The InChIKey is SJXHDTCFTCTRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O2S2/c13-12(14,15)8-2-1-3-9(6-8)17-21(18,19)11-4-5-20-10(11)7-16/h1-6,17H,7,16H2.
What are the key properties of 2-(aminomethyl)-N-[3-(trifluoromethyl)phenyl]thiophene-3-sulfonamide?
2-(aminomethyl)-N-[3-(trifluoromethyl)phenyl]thiophene-3-sulfonamide has a molecular weight of 336.36 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[3-(trifluoromethyl)phenyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106057279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).