N-[4,5-dichloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide

C16H10Cl3FN2O4S3 — CID 67970414

IUPACN-[4,5-dichloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cc(Cl)c(Cl)cc1NS(=O)(=O)c1ccc(Cl)cc1F)c1cccs1
InChIInChI=1S/C16H10Cl3FN2O4S3/c17-9-3-4-15(12(20)6-9)28(23,24)21-13-7-10(18)11(19)8-14(13)22-29(25,26)16-2-1-5-27-16/h1-8,21-22H
InChIKeyBUMXKOUEEDLDBE-UHFFFAOYSA-N
MW515.82 g/mol
LogP5.45
Rot. Bonds6

About N-[4,5-dichloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide

N-[4,5-dichloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide (PubChem CID 67970414) has the molecular formula C16H10Cl3FN2O4S3 and a molecular weight of 515.82 g/mol. Its IUPAC name is N-[4,5-dichloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4,5-dichloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
PubChem CID67970414
Molecular FormulaC16H10Cl3FN2O4S3
Molecular Weight515.82 g/mol
Exact Mass513.89
IUPAC NameN-[4,5-dichloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cc(Cl)c(Cl)cc1NS(=O)(=O)c1ccc(Cl)cc1F)c1cccs1
InChIInChI=1S/C16H10Cl3FN2O4S3/c17-9-3-4-15(12(20)6-9)28(23,24)21-13-7-10(18)11(19)8-14(13)22-29(25,26)16-2-1-5-27-16/h1-8,21-22H
InChIKeyBUMXKOUEEDLDBE-UHFFFAOYSA-N
XLogP5.45
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.82
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4,5-dichloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[4,5-dichloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide (CID 67970414) is N-[4,5-dichloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4,5-dichloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[4,5-dichloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1cc(Cl)c(Cl)cc1NS(=O)(=O)c1ccc(Cl)cc1F)c1cccs1.
What is the InChIKey of N-[4,5-dichloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide?
The InChIKey is BUMXKOUEEDLDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl3FN2O4S3/c17-9-3-4-15(12(20)6-9)28(23,24)21-13-7-10(18)11(19)8-14(13)22-29(25,26)16-2-1-5-27-16/h1-8,21-22H.
What are the key properties of N-[4,5-dichloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide?
N-[4,5-dichloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide has a molecular weight of 515.82 g/mol, XLogP of 5.45, 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-chloro-2-fluorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 67970414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).