1-[(4-chloro-3-pyridinyl)sulfamoyl]-N-propan-2-ylformamide

C9H12ClN3O3S — CID 88643816

IUPAC1-[(4-chloro-3-pyridinyl)sulfamoyl]-N-propan-2-ylformamide
SMILESCC(C)NC(=O)S(=O)(=O)Nc1cnccc1Cl
InChIInChI=1S/C9H12ClN3O3S/c1-6(2)12-9(14)17(15,16)13-8-5-11-4-3-7(8)10/h3-6,13H,1-2H3,(H,12,14)
InChIKeyKAEAYCVNQYOVIS-UHFFFAOYSA-N
MW277.73 g/mol
LogP1.59
Rot. Bonds3

About 1-[(4-chloro-3-pyridinyl)sulfamoyl]-N-propan-2-ylformamide

1-[(4-chloro-3-pyridinyl)sulfamoyl]-N-propan-2-ylformamide (PubChem CID 88643816) has the molecular formula C9H12ClN3O3S and a molecular weight of 277.73 g/mol. Its IUPAC name is 1-[(4-chloro-3-pyridinyl)sulfamoyl]-N-propan-2-ylformamide.

Molecular Properties

Compound Name1-[(4-chloro-3-pyridinyl)sulfamoyl]-N-propan-2-ylformamide
PubChem CID88643816
Molecular FormulaC9H12ClN3O3S
Molecular Weight277.73 g/mol
Exact Mass277.03
IUPAC Name1-[(4-chloro-3-pyridinyl)sulfamoyl]-N-propan-2-ylformamide
SMILESCC(C)NC(=O)S(=O)(=O)Nc1cnccc1Cl
InChIInChI=1S/C9H12ClN3O3S/c1-6(2)12-9(14)17(15,16)13-8-5-11-4-3-7(8)10/h3-6,13H,1-2H3,(H,12,14)
InChIKeyKAEAYCVNQYOVIS-UHFFFAOYSA-N
XLogP1.59
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-3-pyridinyl)sulfamoyl]-N-propan-2-ylformamide?
The IUPAC name of 1-[(4-chloro-3-pyridinyl)sulfamoyl]-N-propan-2-ylformamide (CID 88643816) is 1-[(4-chloro-3-pyridinyl)sulfamoyl]-N-propan-2-ylformamide.
What is the SMILES notation for 1-[(4-chloro-3-pyridinyl)sulfamoyl]-N-propan-2-ylformamide?
The canonical SMILES for 1-[(4-chloro-3-pyridinyl)sulfamoyl]-N-propan-2-ylformamide is CC(C)NC(=O)S(=O)(=O)Nc1cnccc1Cl.
What is the InChIKey of 1-[(4-chloro-3-pyridinyl)sulfamoyl]-N-propan-2-ylformamide?
The InChIKey is KAEAYCVNQYOVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O3S/c1-6(2)12-9(14)17(15,16)13-8-5-11-4-3-7(8)10/h3-6,13H,1-2H3,(H,12,14).
What are the key properties of 1-[(4-chloro-3-pyridinyl)sulfamoyl]-N-propan-2-ylformamide?
1-[(4-chloro-3-pyridinyl)sulfamoyl]-N-propan-2-ylformamide has a molecular weight of 277.73 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-3-pyridinyl)sulfamoyl]-N-propan-2-ylformamide is sourced from PubChem (CID 88643816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).