N-[5-chloro-2-[(4-pyrimidin-2-ylphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide

C24H17ClN4O5S2 — CID 67970382

IUPACN-[5-chloro-2-[(4-pyrimidin-2-ylphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1NS(=O)(=O)c1cc2ccccc2o1)c1ccc(-c2ncccn2)cc1
InChIInChI=1S/C24H17ClN4O5S2/c25-18-8-11-20(21(15-18)29-36(32,33)23-14-17-4-1-2-5-22(17)34-23)28-35(30,31)19-9-6-16(7-10-19)24-26-12-3-13-27-24/h1-15,28-29H
InChIKeyAQMZHUSZXRYYQZ-UHFFFAOYSA-N
MW541.01 g/mol
LogP5.14
Rot. Bonds7

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

N-[5-chloro-2-[(4-pyrimidin-2-ylphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide (PubChem CID 67970382) has the molecular formula C24H17ClN4O5S2 and a molecular weight of 541.01 g/mol. Its IUPAC name is N-[5-chloro-2-[(4-pyrimidin-2-ylphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide.

Molecular Properties

Compound NameN-[5-chloro-2-[(4-pyrimidin-2-ylphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide
PubChem CID67970382
Molecular FormulaC24H17ClN4O5S2
Molecular Weight541.01 g/mol
Exact Mass540.03
IUPAC NameN-[5-chloro-2-[(4-pyrimidin-2-ylphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1NS(=O)(=O)c1cc2ccccc2o1)c1ccc(-c2ncccn2)cc1
InChIInChI=1S/C24H17ClN4O5S2/c25-18-8-11-20(21(15-18)29-36(32,33)23-14-17-4-1-2-5-22(17)34-23)28-35(30,31)19-9-6-16(7-10-19)24-26-12-3-13-27-24/h1-15,28-29H
InChIKeyAQMZHUSZXRYYQZ-UHFFFAOYSA-N
XLogP5.14
TPSA131.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.01
LogP ≤ 55.14
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-pyrimidin-2-ylphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide?
The IUPAC name of N-[5-chloro-2-[(4-pyrimidin-2-ylphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide (CID 67970382) is N-[5-chloro-2-[(4-pyrimidin-2-ylphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide.
What is the SMILES notation for N-[5-chloro-2-[(4-pyrimidin-2-ylphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide?
The canonical SMILES for N-[5-chloro-2-[(4-pyrimidin-2-ylphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide is O=S(=O)(Nc1ccc(Cl)cc1NS(=O)(=O)c1cc2ccccc2o1)c1ccc(-c2ncccn2)cc1.
What is the InChIKey of N-[5-chloro-2-[(4-pyrimidin-2-ylphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide?
The InChIKey is AQMZHUSZXRYYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN4O5S2/c25-18-8-11-20(21(15-18)29-36(32,33)23-14-17-4-1-2-5-22(17)34-23)28-35(30,31)19-9-6-16(7-10-19)24-26-12-3-13-27-24/h1-15,28-29H.
What are the key properties of N-[5-chloro-2-[(4-pyrimidin-2-ylphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide?
N-[5-chloro-2-[(4-pyrimidin-2-ylphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide has a molecular weight of 541.01 g/mol, XLogP of 5.14, 7 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-pyrimidin-2-ylphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide is sourced from PubChem (CID 67970382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).