N-[4,5-dichloro-2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide

C17H10Cl2F4N2O4S3 — CID 88536510

IUPACN-[4,5-dichloro-2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cc(Cl)c(Cl)cc1NS(=O)(=O)c1cccs1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C17H10Cl2F4N2O4S3/c18-11-7-14(15(8-12(11)19)25-32(28,29)16-2-1-5-30-16)24-31(26,27)9-3-4-13(20)10(6-9)17(21,22)23/h1-8,24-25H
InChIKeyKDVJFNNWAOJCQE-UHFFFAOYSA-N
MW549.38 g/mol
LogP5.81
Rot. Bonds6

About N-[4,5-dichloro-2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide

N-[4,5-dichloro-2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide (PubChem CID 88536510) has the molecular formula C17H10Cl2F4N2O4S3 and a molecular weight of 549.38 g/mol. Its IUPAC name is N-[4,5-dichloro-2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4,5-dichloro-2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide
PubChem CID88536510
Molecular FormulaC17H10Cl2F4N2O4S3
Molecular Weight549.38 g/mol
Exact Mass547.91
IUPAC NameN-[4,5-dichloro-2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cc(Cl)c(Cl)cc1NS(=O)(=O)c1cccs1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C17H10Cl2F4N2O4S3/c18-11-7-14(15(8-12(11)19)25-32(28,29)16-2-1-5-30-16)24-31(26,27)9-3-4-13(20)10(6-9)17(21,22)23/h1-8,24-25H
InChIKeyKDVJFNNWAOJCQE-UHFFFAOYSA-N
XLogP5.81
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.38
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4,5-dichloro-2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]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

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dichloro-2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[4,5-dichloro-2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide (CID 88536510) is N-[4,5-dichloro-2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4,5-dichloro-2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[4,5-dichloro-2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1cc(Cl)c(Cl)cc1NS(=O)(=O)c1cccs1)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of N-[4,5-dichloro-2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide?
The InChIKey is KDVJFNNWAOJCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2F4N2O4S3/c18-11-7-14(15(8-12(11)19)25-32(28,29)16-2-1-5-30-16)24-31(26,27)9-3-4-13(20)10(6-9)17(21,22)23/h1-8,24-25H.
What are the key properties of N-[4,5-dichloro-2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide?
N-[4,5-dichloro-2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide has a molecular weight of 549.38 g/mol, XLogP of 5.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dichloro-2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 88536510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).