3-(cyclopropylsulfamoyl)-N-pyridin-4-ylbenzamide

C15H15N3O3S — CID 27700197

IUPAC3-(cyclopropylsulfamoyl)-N-pyridin-4-ylbenzamide
SMILESO=C(Nc1ccncc1)c1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C15H15N3O3S/c19-15(17-12-6-8-16-9-7-12)11-2-1-3-14(10-11)22(20,21)18-13-4-5-13/h1-3,6-10,13,18H,4-5H2,(H,16,17,19)
InChIKeyNNKPLONHYDINCS-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.77
Rot. Bonds5

About 3-(cyclopropylsulfamoyl)-N-pyridin-4-ylbenzamide

3-(cyclopropylsulfamoyl)-N-pyridin-4-ylbenzamide (PubChem CID 27700197) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is 3-(cyclopropylsulfamoyl)-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name3-(cyclopropylsulfamoyl)-N-pyridin-4-ylbenzamide
PubChem CID27700197
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Name3-(cyclopropylsulfamoyl)-N-pyridin-4-ylbenzamide
SMILESO=C(Nc1ccncc1)c1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C15H15N3O3S/c19-15(17-12-6-8-16-9-7-12)11-2-1-3-14(10-11)22(20,21)18-13-4-5-13/h1-3,6-10,13,18H,4-5H2,(H,16,17,19)
InChIKeyNNKPLONHYDINCS-UHFFFAOYSA-N
XLogP1.77
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfamoyl)-N-pyridin-4-ylbenzamide?
The IUPAC name of 3-(cyclopropylsulfamoyl)-N-pyridin-4-ylbenzamide (CID 27700197) is 3-(cyclopropylsulfamoyl)-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 3-(cyclopropylsulfamoyl)-N-pyridin-4-ylbenzamide?
The canonical SMILES for 3-(cyclopropylsulfamoyl)-N-pyridin-4-ylbenzamide is O=C(Nc1ccncc1)c1cccc(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of 3-(cyclopropylsulfamoyl)-N-pyridin-4-ylbenzamide?
The InChIKey is NNKPLONHYDINCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c19-15(17-12-6-8-16-9-7-12)11-2-1-3-14(10-11)22(20,21)18-13-4-5-13/h1-3,6-10,13,18H,4-5H2,(H,16,17,19).
What are the key properties of 3-(cyclopropylsulfamoyl)-N-pyridin-4-ylbenzamide?
3-(cyclopropylsulfamoyl)-N-pyridin-4-ylbenzamide has a molecular weight of 317.37 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfamoyl)-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 27700197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).