5-chloro-N-(4-chlorophenyl)-4-nitro-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide

C18H11Cl2F3N2O4S2 — CID 10097875

IUPAC5-chloro-N-(4-chlorophenyl)-4-nitro-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)N(Cc2cccc(C(F)(F)F)c2)c2ccc(Cl)cc2)sc1Cl
InChIInChI=1S/C18H11Cl2F3N2O4S2/c19-13-4-6-14(7-5-13)24(10-11-2-1-3-12(8-11)18(21,22)23)31(28,29)16-9-15(25(26)27)17(20)30-16/h1-9H,10H2
InChIKeyVJGXFZHDUZPXJW-UHFFFAOYSA-N
MW511.33 g/mol
LogP6.38
Rot. Bonds6

About 5-chloro-N-(4-chlorophenyl)-4-nitro-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide

5-chloro-N-(4-chlorophenyl)-4-nitro-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide (PubChem CID 10097875) has the molecular formula C18H11Cl2F3N2O4S2 and a molecular weight of 511.33 g/mol. Its IUPAC name is 5-chloro-N-(4-chlorophenyl)-4-nitro-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(4-chlorophenyl)-4-nitro-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide
PubChem CID10097875
Molecular FormulaC18H11Cl2F3N2O4S2
Molecular Weight511.33 g/mol
Exact Mass509.95
IUPAC Name5-chloro-N-(4-chlorophenyl)-4-nitro-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)N(Cc2cccc(C(F)(F)F)c2)c2ccc(Cl)cc2)sc1Cl
InChIInChI=1S/C18H11Cl2F3N2O4S2/c19-13-4-6-14(7-5-13)24(10-11-2-1-3-12(8-11)18(21,22)23)31(28,29)16-9-15(25(26)27)17(20)30-16/h1-9H,10H2
InChIKeyVJGXFZHDUZPXJW-UHFFFAOYSA-N
XLogP6.38
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.33
LogP ≤ 56.38
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'}

Analyze 5-chloro-N-(4-chlorophenyl)-4-nitro-N-[[3-(trifluoromethyl)phenyl]methyl]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

4-chloro-N-(4-chlorophenyl)-2-nitro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 52708249
5-chloro-N-cyclopropyl-4-nitro-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 80735432
1-[(4-chlorophenyl)sulfonylmethyl]-3-(trifluoromethyl)benzene
CID 2803725
N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 52634275
N-[(3-chlorophenyl)methyl]-N-(4-fluorophenyl)-4-nitrobenzenesulfonamide
CID 46022451
5-chloro-4-nitro-N-phenylmethoxythiophene-2-sulfonamide
CID 80735923
1,3-dinitro-2-[[3-(trifluoromethyl)phenyl]methyl]benzene
CID 22950728
5-chloro-N-methyl-2-nitro-N-[[3-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
CID 166219229
5-chloro-N-cyclopropyl-N-methyl-4-nitrothiophene-2-sulfonamide
CID 80741766
4-chloro-N-[(3-fluorophenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46021814
2-(5-chloro-2-nitrophenyl)-3-[3-(trifluoromethyl)phenyl]propanenitrile
CID 18476332
5-chloro-4-nitrothiophene-2-sulfonamide
CID 2735782

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-chlorophenyl)-4-nitro-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(4-chlorophenyl)-4-nitro-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide (CID 10097875) is 5-chloro-N-(4-chlorophenyl)-4-nitro-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(4-chlorophenyl)-4-nitro-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(4-chlorophenyl)-4-nitro-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide is O=[N+]([O-])c1cc(S(=O)(=O)N(Cc2cccc(C(F)(F)F)c2)c2ccc(Cl)cc2)sc1Cl.
What is the InChIKey of 5-chloro-N-(4-chlorophenyl)-4-nitro-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide?
The InChIKey is VJGXFZHDUZPXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2F3N2O4S2/c19-13-4-6-14(7-5-13)24(10-11-2-1-3-12(8-11)18(21,22)23)31(28,29)16-9-15(25(26)27)17(20)30-16/h1-9H,10H2.
What are the key properties of 5-chloro-N-(4-chlorophenyl)-4-nitro-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide?
5-chloro-N-(4-chlorophenyl)-4-nitro-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide has a molecular weight of 511.33 g/mol, XLogP of 6.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-chlorophenyl)-4-nitro-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 10097875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).