5-(methylamino)-4-nitro-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide

C8H10F3N3O4S2 — CID 80747707

IUPAC5-(methylamino)-4-nitro-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide
SMILESCNc1sc(S(=O)(=O)NCCC(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C8H10F3N3O4S2/c1-12-7-5(14(15)16)4-6(19-7)20(17,18)13-3-2-8(9,10)11/h4,12-13H,2-3H2,1H3
InChIKeyMPFFZWKZGKSQGO-UHFFFAOYSA-N
MW333.31 g/mol
LogP1.93
Rot. Bonds6

About 5-(methylamino)-4-nitro-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide

5-(methylamino)-4-nitro-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide (PubChem CID 80747707) has the molecular formula C8H10F3N3O4S2 and a molecular weight of 333.31 g/mol. Its IUPAC name is 5-(methylamino)-4-nitro-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(methylamino)-4-nitro-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide
PubChem CID80747707
Molecular FormulaC8H10F3N3O4S2
Molecular Weight333.31 g/mol
Exact Mass333.01
IUPAC Name5-(methylamino)-4-nitro-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide
SMILESCNc1sc(S(=O)(=O)NCCC(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C8H10F3N3O4S2/c1-12-7-5(14(15)16)4-6(19-7)20(17,18)13-3-2-8(9,10)11/h4,12-13H,2-3H2,1H3
InChIKeyMPFFZWKZGKSQGO-UHFFFAOYSA-N
XLogP1.93
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-(methylamino)-4-nitro-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(ethylamino)-4-nitro-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide
CID 80731137
N-[2-(methanesulfonamido)ethyl]-5-(methylamino)-4-nitrothiophene-2-sulfonamide
CID 80731405
N-[2-(furan-2-yl)ethyl]-5-(methylamino)-4-nitrothiophene-2-sulfonamide
CID 80731327
5-amino-4-nitro-N-(5,5,5-trifluoropentyl)thiophene-2-sulfonamide
CID 115522052
5-(methylamino)-4-nitro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 80727588
5-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]-4-nitrothiophene-2-sulfonamide
CID 80727859
5-(methylamino)-4-nitro-N-(thian-2-ylmethyl)thiophene-2-sulfonamide
CID 80728268
5-(methylamino)-N-[(3-methylcyclopentyl)methyl]-4-nitrothiophene-2-sulfonamide
CID 107415149
5-(methylamino)-4-nitro-N-pentan-2-ylthiophene-2-sulfonamide
CID 80746992
N-(2-cyclopropylethyl)-5-(ethylamino)-4-nitrothiophene-2-sulfonamide
CID 80747604
5-(ethylamino)-N-(2-methylsulfanylethyl)-4-nitrothiophene-2-sulfonamide
CID 80746711
N-(2-hydroxyethyl)-N-methyl-5-(methylamino)-4-nitrothiophene-2-sulfonamide
CID 80746275

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-4-nitro-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(methylamino)-4-nitro-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide (CID 80747707) is 5-(methylamino)-4-nitro-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(methylamino)-4-nitro-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(methylamino)-4-nitro-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide is CNc1sc(S(=O)(=O)NCCC(F)(F)F)cc1[N+](=O)[O-].
What is the InChIKey of 5-(methylamino)-4-nitro-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide?
The InChIKey is MPFFZWKZGKSQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O4S2/c1-12-7-5(14(15)16)4-6(19-7)20(17,18)13-3-2-8(9,10)11/h4,12-13H,2-3H2,1H3.
What are the key properties of 5-(methylamino)-4-nitro-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide?
5-(methylamino)-4-nitro-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide has a molecular weight of 333.31 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-4-nitro-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide is sourced from PubChem (CID 80747707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).