N-[5-chloro-2-[(4-pyridin-2-yloxyphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide

C25H18ClN3O6S2 — CID 67970182

IUPACN-[5-chloro-2-[(4-pyridin-2-yloxyphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1NS(=O)(=O)c1cc2ccccc2o1)c1ccc(Oc2ccccn2)cc1
InChIInChI=1S/C25H18ClN3O6S2/c26-18-8-13-21(22(16-18)29-37(32,33)25-15-17-5-1-2-6-23(17)35-25)28-36(30,31)20-11-9-19(10-12-20)34-24-7-3-4-14-27-24/h1-16,28-29H
InChIKeyUNTYJINVVBKUOS-UHFFFAOYSA-N
MW556.02 g/mol
LogP5.88
Rot. Bonds8

About N-[5-chloro-2-[(4-pyridin-2-yloxyphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide

N-[5-chloro-2-[(4-pyridin-2-yloxyphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide (PubChem CID 67970182) has the molecular formula C25H18ClN3O6S2 and a molecular weight of 556.02 g/mol. Its IUPAC name is N-[5-chloro-2-[(4-pyridin-2-yloxyphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide.

Molecular Properties

Compound NameN-[5-chloro-2-[(4-pyridin-2-yloxyphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide
PubChem CID67970182
Molecular FormulaC25H18ClN3O6S2
Molecular Weight556.02 g/mol
Exact Mass555.03
IUPAC NameN-[5-chloro-2-[(4-pyridin-2-yloxyphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1NS(=O)(=O)c1cc2ccccc2o1)c1ccc(Oc2ccccn2)cc1
InChIInChI=1S/C25H18ClN3O6S2/c26-18-8-13-21(22(16-18)29-37(32,33)25-15-17-5-1-2-6-23(17)35-25)28-36(30,31)20-11-9-19(10-12-20)34-24-7-3-4-14-27-24/h1-16,28-29H
InChIKeyUNTYJINVVBKUOS-UHFFFAOYSA-N
XLogP5.88
TPSA127.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.02
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[(4-pyridin-2-yloxyphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide?
The IUPAC name of N-[5-chloro-2-[(4-pyridin-2-yloxyphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide (CID 67970182) is N-[5-chloro-2-[(4-pyridin-2-yloxyphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide.
What is the SMILES notation for N-[5-chloro-2-[(4-pyridin-2-yloxyphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide?
The canonical SMILES for N-[5-chloro-2-[(4-pyridin-2-yloxyphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide is O=S(=O)(Nc1ccc(Cl)cc1NS(=O)(=O)c1cc2ccccc2o1)c1ccc(Oc2ccccn2)cc1.
What is the InChIKey of N-[5-chloro-2-[(4-pyridin-2-yloxyphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide?
The InChIKey is UNTYJINVVBKUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClN3O6S2/c26-18-8-13-21(22(16-18)29-37(32,33)25-15-17-5-1-2-6-23(17)35-25)28-36(30,31)20-11-9-19(10-12-20)34-24-7-3-4-14-27-24/h1-16,28-29H.
What are the key properties of N-[5-chloro-2-[(4-pyridin-2-yloxyphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide?
N-[5-chloro-2-[(4-pyridin-2-yloxyphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide has a molecular weight of 556.02 g/mol, XLogP of 5.88, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-[(4-pyridin-2-yloxyphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide is sourced from PubChem (CID 67970182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).