N-[4-[(5-chloro-2-pyridinyl)sulfamoyl]phenyl]acetamide

C13H12ClN3O3S — CID 669666

IUPACN-[4-[(5-chloro-2-pyridinyl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C13H12ClN3O3S/c1-9(18)16-11-3-5-12(6-4-11)21(19,20)17-13-7-2-10(14)8-15-13/h2-8H,1H3,(H,15,17)(H,16,18)
InChIKeyUWXFTZCAOANNPV-UHFFFAOYSA-N
MW325.78 g/mol
LogP2.49
Rot. Bonds4

About N-[4-[(5-chloro-2-pyridinyl)sulfamoyl]phenyl]acetamide

N-[4-[(5-chloro-2-pyridinyl)sulfamoyl]phenyl]acetamide (PubChem CID 669666) has the molecular formula C13H12ClN3O3S and a molecular weight of 325.78 g/mol. Its IUPAC name is N-[4-[(5-chloro-2-pyridinyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(5-chloro-2-pyridinyl)sulfamoyl]phenyl]acetamide
PubChem CID669666
Molecular FormulaC13H12ClN3O3S
Molecular Weight325.78 g/mol
Exact Mass325.03
IUPAC NameN-[4-[(5-chloro-2-pyridinyl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C13H12ClN3O3S/c1-9(18)16-11-3-5-12(6-4-11)21(19,20)17-13-7-2-10(14)8-15-13/h2-8H,1H3,(H,15,17)(H,16,18)
InChIKeyUWXFTZCAOANNPV-UHFFFAOYSA-N
XLogP2.49
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.78
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-chloro-2-pyridinyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(5-chloro-2-pyridinyl)sulfamoyl]phenyl]acetamide (CID 669666) is N-[4-[(5-chloro-2-pyridinyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(5-chloro-2-pyridinyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(5-chloro-2-pyridinyl)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)cc1.
What is the InChIKey of N-[4-[(5-chloro-2-pyridinyl)sulfamoyl]phenyl]acetamide?
The InChIKey is UWXFTZCAOANNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O3S/c1-9(18)16-11-3-5-12(6-4-11)21(19,20)17-13-7-2-10(14)8-15-13/h2-8H,1H3,(H,15,17)(H,16,18).
What are the key properties of N-[4-[(5-chloro-2-pyridinyl)sulfamoyl]phenyl]acetamide?
N-[4-[(5-chloro-2-pyridinyl)sulfamoyl]phenyl]acetamide has a molecular weight of 325.78 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-chloro-2-pyridinyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 669666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).