N-(6-acetamido-3-pyridinyl)-6-chloro-2-fluoro-3-(propylsulfonylamino)benzamide

C17H18ClFN4O4S — CID 59418543

IUPACN-(6-acetamido-3-pyridinyl)-6-chloro-2-fluoro-3-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(NC(C)=O)nc2)c1F
InChIInChI=1S/C17H18ClFN4O4S/c1-3-8-28(26,27)23-13-6-5-12(18)15(16(13)19)17(25)22-11-4-7-14(20-9-11)21-10(2)24/h4-7,9,23H,3,8H2,1-2H3,(H,22,25)(H,20,21,24)
InChIKeyBILYRRPAXVLYRM-UHFFFAOYSA-N
MW428.87 g/mol
LogP3.24
Rot. Bonds7

About N-(6-acetamido-3-pyridinyl)-6-chloro-2-fluoro-3-(propylsulfonylamino)benzamide

N-(6-acetamido-3-pyridinyl)-6-chloro-2-fluoro-3-(propylsulfonylamino)benzamide (PubChem CID 59418543) has the molecular formula C17H18ClFN4O4S and a molecular weight of 428.87 g/mol. Its IUPAC name is N-(6-acetamido-3-pyridinyl)-6-chloro-2-fluoro-3-(propylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-(6-acetamido-3-pyridinyl)-6-chloro-2-fluoro-3-(propylsulfonylamino)benzamide
PubChem CID59418543
Molecular FormulaC17H18ClFN4O4S
Molecular Weight428.87 g/mol
Exact Mass428.07
IUPAC NameN-(6-acetamido-3-pyridinyl)-6-chloro-2-fluoro-3-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(NC(C)=O)nc2)c1F
InChIInChI=1S/C17H18ClFN4O4S/c1-3-8-28(26,27)23-13-6-5-12(18)15(16(13)19)17(25)22-11-4-7-14(20-9-11)21-10(2)24/h4-7,9,23H,3,8H2,1-2H3,(H,22,25)(H,20,21,24)
InChIKeyBILYRRPAXVLYRM-UHFFFAOYSA-N
XLogP3.24
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.87
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-acetamido-3-pyridinyl)-6-chloro-2-fluoro-3-(propylsulfonylamino)benzamide?
The IUPAC name of N-(6-acetamido-3-pyridinyl)-6-chloro-2-fluoro-3-(propylsulfonylamino)benzamide (CID 59418543) is N-(6-acetamido-3-pyridinyl)-6-chloro-2-fluoro-3-(propylsulfonylamino)benzamide.
What is the SMILES notation for N-(6-acetamido-3-pyridinyl)-6-chloro-2-fluoro-3-(propylsulfonylamino)benzamide?
The canonical SMILES for N-(6-acetamido-3-pyridinyl)-6-chloro-2-fluoro-3-(propylsulfonylamino)benzamide is CCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(NC(C)=O)nc2)c1F.
What is the InChIKey of N-(6-acetamido-3-pyridinyl)-6-chloro-2-fluoro-3-(propylsulfonylamino)benzamide?
The InChIKey is BILYRRPAXVLYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN4O4S/c1-3-8-28(26,27)23-13-6-5-12(18)15(16(13)19)17(25)22-11-4-7-14(20-9-11)21-10(2)24/h4-7,9,23H,3,8H2,1-2H3,(H,22,25)(H,20,21,24).
What are the key properties of N-(6-acetamido-3-pyridinyl)-6-chloro-2-fluoro-3-(propylsulfonylamino)benzamide?
N-(6-acetamido-3-pyridinyl)-6-chloro-2-fluoro-3-(propylsulfonylamino)benzamide has a molecular weight of 428.87 g/mol, XLogP of 3.24, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetamido-3-pyridinyl)-6-chloro-2-fluoro-3-(propylsulfonylamino)benzamide is sourced from PubChem (CID 59418543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).