5-chloro-N-cyclopropyl-4-nitro-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide

C9H8ClF3N2O4S2 — CID 80735432

IUPAC5-chloro-N-cyclopropyl-4-nitro-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)N(CC(F)(F)F)C2CC2)sc1Cl
InChIInChI=1S/C9H8ClF3N2O4S2/c10-8-6(15(16)17)3-7(20-8)21(18,19)14(5-1-2-5)4-9(11,12)13/h3,5H,1-2,4H2
InChIKeyMALAELMZKKWNLB-UHFFFAOYSA-N
MW364.75 g/mol
LogP3.03
Rot. Bonds5

About 5-chloro-N-cyclopropyl-4-nitro-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide

5-chloro-N-cyclopropyl-4-nitro-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide (PubChem CID 80735432) has the molecular formula C9H8ClF3N2O4S2 and a molecular weight of 364.75 g/mol. Its IUPAC name is 5-chloro-N-cyclopropyl-4-nitro-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-cyclopropyl-4-nitro-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
PubChem CID80735432
Molecular FormulaC9H8ClF3N2O4S2
Molecular Weight364.75 g/mol
Exact Mass363.96
IUPAC Name5-chloro-N-cyclopropyl-4-nitro-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)N(CC(F)(F)F)C2CC2)sc1Cl
InChIInChI=1S/C9H8ClF3N2O4S2/c10-8-6(15(16)17)3-7(20-8)21(18,19)14(5-1-2-5)4-9(11,12)13/h3,5H,1-2,4H2
InChIKeyMALAELMZKKWNLB-UHFFFAOYSA-N
XLogP3.03
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.75
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-cyclopropyl-N-methyl-4-nitrothiophene-2-sulfonamide
CID 80741766
5-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-4-nitrothiophene-2-sulfonamide
CID 102861554
5-chloro-N-ethyl-4-nitro-N-piperidin-4-ylthiophene-2-sulfonamide
CID 80745692
5-chloro-N-cyclohexyl-N-methyl-4-nitrothiophene-2-sulfonamide
CID 80742364
5-chloro-N-(cyclohexylmethyl)-N-methyl-4-nitrothiophene-2-sulfonamide
CID 112729909
N-(3-amino-2,2-dimethylpropyl)-5-chloro-N-methyl-4-nitrothiophene-2-sulfonamide
CID 80742614
5-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-nitrothiophene-2-sulfonamide
CID 80741851
4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 55006606
5-chloro-N-methyl-N-(3-methylbutyl)-4-nitrothiophene-2-sulfonamide
CID 80742645
1-(5-chloro-4-nitrothiophen-2-yl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 80734863
5-chloro-4-nitrothiophene-2-sulfonamide
CID 2735782
methyl 2-[(5-chloro-4-nitrothiophen-2-yl)sulfonyl-methylamino]acetate
CID 80742032

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclopropyl-4-nitro-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-cyclopropyl-4-nitro-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide (CID 80735432) is 5-chloro-N-cyclopropyl-4-nitro-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-cyclopropyl-4-nitro-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-cyclopropyl-4-nitro-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide is O=[N+]([O-])c1cc(S(=O)(=O)N(CC(F)(F)F)C2CC2)sc1Cl.
What is the InChIKey of 5-chloro-N-cyclopropyl-4-nitro-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The InChIKey is MALAELMZKKWNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3N2O4S2/c10-8-6(15(16)17)3-7(20-8)21(18,19)14(5-1-2-5)4-9(11,12)13/h3,5H,1-2,4H2.
What are the key properties of 5-chloro-N-cyclopropyl-4-nitro-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
5-chloro-N-cyclopropyl-4-nitro-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide has a molecular weight of 364.75 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclopropyl-4-nitro-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 80735432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).