2-chloro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide

C14H14ClN3O3S — CID 71300028

IUPAC2-chloro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
SMILESCC(Cl)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1
InChIInChI=1S/C14H14ClN3O3S/c1-10(15)14(19)17-11-5-7-12(8-6-11)22(20,21)18-13-4-2-3-9-16-13/h2-10H,1H3,(H,16,18)(H,17,19)
InChIKeyBZKOUDZUFUTPKR-UHFFFAOYSA-N
MW339.80 g/mol
LogP2.45
Rot. Bonds5

About 2-chloro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide

2-chloro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 71300028) has the molecular formula C14H14ClN3O3S and a molecular weight of 339.80 g/mol. Its IUPAC name is 2-chloro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
PubChem CID71300028
Molecular FormulaC14H14ClN3O3S
Molecular Weight339.80 g/mol
Exact Mass339.04
IUPAC Name2-chloro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
SMILESCC(Cl)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1
InChIInChI=1S/C14H14ClN3O3S/c1-10(15)14(19)17-11-5-7-12(8-6-11)22(20,21)18-13-4-2-3-9-16-13/h2-10H,1H3,(H,16,18)(H,17,19)
InChIKeyBZKOUDZUFUTPKR-UHFFFAOYSA-N
XLogP2.45
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-phenylsulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 92674258
3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
CID 19204194
N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 725106
(2R)-2-(4-phenylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 1177983
2-chloro-N-pyridin-2-ylpropanamide
CID 16789014
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 25038009
[4-(pyridin-2-ylsulfamoyl)phenyl]thiourea
CID 87842258
2-(3-ethylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 53267157
2-(furan-2-ylmethylsulfanyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 25045381
(2R)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 28565199
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 25034800
N-[4-(pyridin-2-ylsulfamoyl)phenyl]pentanamide
CID 19176522

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of 2-chloro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide (CID 71300028) is 2-chloro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 2-chloro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 2-chloro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide is CC(Cl)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1.
What is the InChIKey of 2-chloro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide?
The InChIKey is BZKOUDZUFUTPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3S/c1-10(15)14(19)17-11-5-7-12(8-6-11)22(20,21)18-13-4-2-3-9-16-13/h2-10H,1H3,(H,16,18)(H,17,19).
What are the key properties of 2-chloro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide?
2-chloro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 339.80 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 71300028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).