N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylamino]-4-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide

C21H17ClF2N4O3S — CID 118238013

IUPACN-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylamino]-4-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide
SMILESCc1c(-c2ccnc(NC(=O)C3CC3)c2)cnc(Cl)c1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C21H17ClF2N4O3S/c1-11-15(13-6-7-25-18(8-13)27-21(29)12-2-3-12)10-26-20(22)19(11)28-32(30,31)17-5-4-14(23)9-16(17)24/h4-10,12,28H,2-3H2,1H3,(H,25,27,29)
InChIKeyUBAQCDWZYMCZDA-UHFFFAOYSA-N
MW478.91 g/mol
LogP4.53
Rot. Bonds6

About N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylamino]-4-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide

N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylamino]-4-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 118238013) has the molecular formula C21H17ClF2N4O3S and a molecular weight of 478.91 g/mol. Its IUPAC name is N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylamino]-4-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylamino]-4-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID118238013
Molecular FormulaC21H17ClF2N4O3S
Molecular Weight478.91 g/mol
Exact Mass478.07
IUPAC NameN-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylamino]-4-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide
SMILESCc1c(-c2ccnc(NC(=O)C3CC3)c2)cnc(Cl)c1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C21H17ClF2N4O3S/c1-11-15(13-6-7-25-18(8-13)27-21(29)12-2-3-12)10-26-20(22)19(11)28-32(30,31)17-5-4-14(23)9-16(17)24/h4-10,12,28H,2-3H2,1H3,(H,25,27,29)
InChIKeyUBAQCDWZYMCZDA-UHFFFAOYSA-N
XLogP4.53
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.91
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[6-chloro-5-[(2,4-difluorophenyl)sulfonylamino]-4-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylamino]-4-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide (CID 118238013) is N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylamino]-4-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylamino]-4-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylamino]-4-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide is Cc1c(-c2ccnc(NC(=O)C3CC3)c2)cnc(Cl)c1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylamino]-4-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is UBAQCDWZYMCZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF2N4O3S/c1-11-15(13-6-7-25-18(8-13)27-21(29)12-2-3-12)10-26-20(22)19(11)28-32(30,31)17-5-4-14(23)9-16(17)24/h4-10,12,28H,2-3H2,1H3,(H,25,27,29).
What are the key properties of N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylamino]-4-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide?
N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylamino]-4-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 478.91 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylamino]-4-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 118238013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).