N-[4-[(2-chloro-3-pyridinyl)sulfonylamino]phenyl]cyclopropanecarboxamide

C15H14ClN3O3S — CID 24650969

IUPACN-[4-[(2-chloro-3-pyridinyl)sulfonylamino]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(NS(=O)(=O)c2cccnc2Cl)cc1)C1CC1
InChIInChI=1S/C15H14ClN3O3S/c16-14-13(2-1-9-17-14)23(21,22)19-12-7-5-11(6-8-12)18-15(20)10-3-4-10/h1-2,5-10,19H,3-4H2,(H,18,20)
InChIKeyTXCMETBBZKJVEC-UHFFFAOYSA-N
MW351.82 g/mol
LogP2.88
Rot. Bonds5

About N-[4-[(2-chloro-3-pyridinyl)sulfonylamino]phenyl]cyclopropanecarboxamide

N-[4-[(2-chloro-3-pyridinyl)sulfonylamino]phenyl]cyclopropanecarboxamide (PubChem CID 24650969) has the molecular formula C15H14ClN3O3S and a molecular weight of 351.82 g/mol. Its IUPAC name is N-[4-[(2-chloro-3-pyridinyl)sulfonylamino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[(2-chloro-3-pyridinyl)sulfonylamino]phenyl]cyclopropanecarboxamide
PubChem CID24650969
Molecular FormulaC15H14ClN3O3S
Molecular Weight351.82 g/mol
Exact Mass351.04
IUPAC NameN-[4-[(2-chloro-3-pyridinyl)sulfonylamino]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(NS(=O)(=O)c2cccnc2Cl)cc1)C1CC1
InChIInChI=1S/C15H14ClN3O3S/c16-14-13(2-1-9-17-14)23(21,22)19-12-7-5-11(6-8-12)18-15(20)10-3-4-10/h1-2,5-10,19H,3-4H2,(H,18,20)
InChIKeyTXCMETBBZKJVEC-UHFFFAOYSA-N
XLogP2.88
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.82
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-chloro-3-pyridinyl)sulfonylamino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[(2-chloro-3-pyridinyl)sulfonylamino]phenyl]cyclopropanecarboxamide (CID 24650969) is N-[4-[(2-chloro-3-pyridinyl)sulfonylamino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[(2-chloro-3-pyridinyl)sulfonylamino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[(2-chloro-3-pyridinyl)sulfonylamino]phenyl]cyclopropanecarboxamide is O=C(Nc1ccc(NS(=O)(=O)c2cccnc2Cl)cc1)C1CC1.
What is the InChIKey of N-[4-[(2-chloro-3-pyridinyl)sulfonylamino]phenyl]cyclopropanecarboxamide?
The InChIKey is TXCMETBBZKJVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O3S/c16-14-13(2-1-9-17-14)23(21,22)19-12-7-5-11(6-8-12)18-15(20)10-3-4-10/h1-2,5-10,19H,3-4H2,(H,18,20).
What are the key properties of N-[4-[(2-chloro-3-pyridinyl)sulfonylamino]phenyl]cyclopropanecarboxamide?
N-[4-[(2-chloro-3-pyridinyl)sulfonylamino]phenyl]cyclopropanecarboxamide has a molecular weight of 351.82 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-chloro-3-pyridinyl)sulfonylamino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 24650969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).