N-[6-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-pyridin-4-ylquinazolin-2-yl]acetamide

C26H19ClN6O3S — CID 25144376

IUPACN-[6-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-pyridin-4-ylquinazolin-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2ccncc2)c2cc(-c3cnc(Cl)c(NS(=O)(=O)c4ccccc4)c3)ccc2n1
InChIInChI=1S/C26H19ClN6O3S/c1-16(34)30-26-31-22-8-7-18(13-21(22)24(32-26)17-9-11-28-12-10-17)19-14-23(25(27)29-15-19)33-37(35,36)20-5-3-2-4-6-20/h2-15,33H,1H3,(H,30,31,32,34)
InChIKeyCRYOEDNNWYHLCC-UHFFFAOYSA-N
MW531.00 g/mol
LogP5.17
Rot. Bonds6

About N-[6-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-pyridin-4-ylquinazolin-2-yl]acetamide

N-[6-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-pyridin-4-ylquinazolin-2-yl]acetamide (PubChem CID 25144376) has the molecular formula C26H19ClN6O3S and a molecular weight of 531.00 g/mol. Its IUPAC name is N-[6-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-pyridin-4-ylquinazolin-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-pyridin-4-ylquinazolin-2-yl]acetamide
PubChem CID25144376
Molecular FormulaC26H19ClN6O3S
Molecular Weight531.00 g/mol
Exact Mass530.09
IUPAC NameN-[6-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-pyridin-4-ylquinazolin-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2ccncc2)c2cc(-c3cnc(Cl)c(NS(=O)(=O)c4ccccc4)c3)ccc2n1
InChIInChI=1S/C26H19ClN6O3S/c1-16(34)30-26-31-22-8-7-18(13-21(22)24(32-26)17-9-11-28-12-10-17)19-14-23(25(27)29-15-19)33-37(35,36)20-5-3-2-4-6-20/h2-15,33H,1H3,(H,30,31,32,34)
InChIKeyCRYOEDNNWYHLCC-UHFFFAOYSA-N
XLogP5.17
TPSA126.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.00
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

N-[2-chloro-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]-2-methylbenzenesulfonamide
CID 59859963
N-[6-[6-chloro-5-[(4-fluorophenyl)sulfonylamino]-3-pyridinyl]-1,3-benzoxazol-2-yl]acetamide
CID 53387738
5-[6-chloro-5-[(4-phenylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide
CID 162647933
2-amino-N-[4-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]phenyl]-3-methylbutanamide
CID 175276585
N-[2-chloro-5-(3-fluoroquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;ethane
CID 143915344
5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-2-tert-butylpyridine-3-carboxamide
CID 174952677
N-[2-chloro-5-[4-(2-methoxyethoxy)quinolin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44609700
N-[2-chloro-5-(2,6-diaminopyrimidin-4-yl)-3-pyridinyl]benzenesulfonamide
CID 87554239
N-[5-(4-benzyl-3-oxoquinoxalin-6-yl)-2-chloro-3-pyridinyl]benzenesulfonamide
CID 59613730
N-[6-(5-amino-6-chloro-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide;5-bromo-2-chloropyridin-3-amine;4-chlorobenzenesulfonyl chloride;N-[6-[6-chloro-5-[(4-chlorophenyl)sulfonylamino]-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;pyridine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide
CID 160668097
N-[6-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide
CID 44623339
N-[2-chloro-5-(5-phenylfuro[2,3-b]pyridin-3-yl)-3-pyridinyl]-4-methoxybenzenesulfonamide
CID 71556566

Frequently Asked Questions

What is the IUPAC name of N-[6-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-pyridin-4-ylquinazolin-2-yl]acetamide?
The IUPAC name of N-[6-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-pyridin-4-ylquinazolin-2-yl]acetamide (CID 25144376) is N-[6-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-pyridin-4-ylquinazolin-2-yl]acetamide.
What is the SMILES notation for N-[6-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-pyridin-4-ylquinazolin-2-yl]acetamide?
The canonical SMILES for N-[6-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-pyridin-4-ylquinazolin-2-yl]acetamide is CC(=O)Nc1nc(-c2ccncc2)c2cc(-c3cnc(Cl)c(NS(=O)(=O)c4ccccc4)c3)ccc2n1.
What is the InChIKey of N-[6-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-pyridin-4-ylquinazolin-2-yl]acetamide?
The InChIKey is CRYOEDNNWYHLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClN6O3S/c1-16(34)30-26-31-22-8-7-18(13-21(22)24(32-26)17-9-11-28-12-10-17)19-14-23(25(27)29-15-19)33-37(35,36)20-5-3-2-4-6-20/h2-15,33H,1H3,(H,30,31,32,34).
What are the key properties of N-[6-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-pyridin-4-ylquinazolin-2-yl]acetamide?
N-[6-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-pyridin-4-ylquinazolin-2-yl]acetamide has a molecular weight of 531.00 g/mol, XLogP of 5.17, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-pyridin-4-ylquinazolin-2-yl]acetamide is sourced from PubChem (CID 25144376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).