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

C18H13ClF2N4O3S — CID 162665982

IUPAC5-[6-chloro-5-[(2,4-difluorophenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cncc(-c2cnc(Cl)c(NS(=O)(=O)c3ccc(F)cc3F)c2)c1
InChIInChI=1S/C18H13ClF2N4O3S/c1-22-18(26)12-4-10(7-23-8-12)11-5-15(17(19)24-9-11)25-29(27,28)16-3-2-13(20)6-14(16)21/h2-9,25H,1H3,(H,22,26)
InChIKeyRUGLFRLRTSDMMV-UHFFFAOYSA-N
MW438.84 g/mol
LogP3.24
Rot. Bonds5

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

5-[6-chloro-5-[(2,4-difluorophenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide (PubChem CID 162665982) has the molecular formula C18H13ClF2N4O3S and a molecular weight of 438.84 g/mol. Its IUPAC name is 5-[6-chloro-5-[(2,4-difluorophenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[6-chloro-5-[(2,4-difluorophenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide
PubChem CID162665982
Molecular FormulaC18H13ClF2N4O3S
Molecular Weight438.84 g/mol
Exact Mass438.04
IUPAC Name5-[6-chloro-5-[(2,4-difluorophenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cncc(-c2cnc(Cl)c(NS(=O)(=O)c3ccc(F)cc3F)c2)c1
InChIInChI=1S/C18H13ClF2N4O3S/c1-22-18(26)12-4-10(7-23-8-12)11-5-15(17(19)24-9-11)25-29(27,28)16-3-2-13(20)6-14(16)21/h2-9,25H,1H3,(H,22,26)
InChIKeyRUGLFRLRTSDMMV-UHFFFAOYSA-N
XLogP3.24
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.84
LogP ≤ 53.24
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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Related Compounds

CID 141754964
CID 141754964
CID 152818126
CID 152818126
CID 162654796
CID 162654796
CID 2121872
CID 2121872
CID 59053520
CID 59053520
CID 118211373
CID 118211373
CID 141754935
CID 141754935
CID 141754937
CID 141754937
CID 141754957
CID 141754957
CID 141754969
CID 141754969
CID 146865035
CID 146865035
CID 147496436
CID 147496436

Frequently Asked Questions

What is the IUPAC name of 5-[6-chloro-5-[(2,4-difluorophenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-[6-chloro-5-[(2,4-difluorophenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide (CID 162665982) is 5-[6-chloro-5-[(2,4-difluorophenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-[6-chloro-5-[(2,4-difluorophenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-[6-chloro-5-[(2,4-difluorophenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide is CNC(=O)c1cncc(-c2cnc(Cl)c(NS(=O)(=O)c3ccc(F)cc3F)c2)c1.
What is the InChIKey of 5-[6-chloro-5-[(2,4-difluorophenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide?
The InChIKey is RUGLFRLRTSDMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF2N4O3S/c1-22-18(26)12-4-10(7-23-8-12)11-5-15(17(19)24-9-11)25-29(27,28)16-3-2-13(20)6-14(16)21/h2-9,25H,1H3,(H,22,26).
What are the key properties of 5-[6-chloro-5-[(2,4-difluorophenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide?
5-[6-chloro-5-[(2,4-difluorophenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide has a molecular weight of 438.84 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-chloro-5-[(2,4-difluorophenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 162665982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).