N-[6-[6-chloro-5-[(4-fluorophenyl)sulfonylamino]-3-pyridinyl]-1,3-benzoxazol-2-yl]acetamide

C20H14ClFN4O4S — CID 53387738

IUPACN-[6-[6-chloro-5-[(4-fluorophenyl)sulfonylamino]-3-pyridinyl]-1,3-benzoxazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)cc2o1
InChIInChI=1S/C20H14ClFN4O4S/c1-11(27)24-20-25-16-7-2-12(9-18(16)30-20)13-8-17(19(21)23-10-13)26-31(28,29)15-5-3-14(22)4-6-15/h2-10,26H,1H3,(H,24,25,27)
InChIKeyQFGPLNAQFOAOAP-UHFFFAOYSA-N
MW460.87 g/mol
LogP4.44
Rot. Bonds5

About N-[6-[6-chloro-5-[(4-fluorophenyl)sulfonylamino]-3-pyridinyl]-1,3-benzoxazol-2-yl]acetamide

N-[6-[6-chloro-5-[(4-fluorophenyl)sulfonylamino]-3-pyridinyl]-1,3-benzoxazol-2-yl]acetamide (PubChem CID 53387738) has the molecular formula C20H14ClFN4O4S and a molecular weight of 460.87 g/mol. Its IUPAC name is N-[6-[6-chloro-5-[(4-fluorophenyl)sulfonylamino]-3-pyridinyl]-1,3-benzoxazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-[6-chloro-5-[(4-fluorophenyl)sulfonylamino]-3-pyridinyl]-1,3-benzoxazol-2-yl]acetamide
PubChem CID53387738
Molecular FormulaC20H14ClFN4O4S
Molecular Weight460.87 g/mol
Exact Mass460.04
IUPAC NameN-[6-[6-chloro-5-[(4-fluorophenyl)sulfonylamino]-3-pyridinyl]-1,3-benzoxazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)cc2o1
InChIInChI=1S/C20H14ClFN4O4S/c1-11(27)24-20-25-16-7-2-12(9-18(16)30-20)13-8-17(19(21)23-10-13)26-31(28,29)15-5-3-14(22)4-6-15/h2-10,26H,1H3,(H,24,25,27)
InChIKeyQFGPLNAQFOAOAP-UHFFFAOYSA-N
XLogP4.44
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.87
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[6-[6-chloro-5-[(4-fluorophenyl)sulfonylamino]-3-pyridinyl]-1,3-benzoxazol-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-(benzo[d]oxazol-6-yl)-2-chloropyridin-3-yl)-4-fluorobenzenesulfonamide
CID 53387574
2-[[2-(4-fluorophenyl)-1-pyridin-2-ylethyl]amino]-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide
CID 10410986
N-[5-(2-amino-1,3-benzoxazol-6-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 53387573
N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazol-2-yl]acetamide
CID 71813982
N-[5-(1,3-benzoxazol-5-yl)-2-chloro-3-pyridinyl]benzenesulfonamide
CID 164628076
2-(1,3-benzoxazol-2-ylamino)-4-(2-chlorophenyl)-6-methyl-N-pyridin-3-yl-1,4-dihydropyrimidine-5-carboxamide
CID 73336294
N-[5-[2-(1,3-benzoxazol-2-ylamino)-4-pyridinyl]-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 118249415
US10323029, Generic formula 52782
CID 121264321
US10022387, Example 17
CID 122447478
US10022387, Example 28
CID 122447506
US10022387, Example 27
CID 122447535
US10022387, Example 29
CID 122447539

Frequently Asked Questions

What is the IUPAC name of N-[6-[6-chloro-5-[(4-fluorophenyl)sulfonylamino]-3-pyridinyl]-1,3-benzoxazol-2-yl]acetamide?
The IUPAC name of N-[6-[6-chloro-5-[(4-fluorophenyl)sulfonylamino]-3-pyridinyl]-1,3-benzoxazol-2-yl]acetamide (CID 53387738) is N-[6-[6-chloro-5-[(4-fluorophenyl)sulfonylamino]-3-pyridinyl]-1,3-benzoxazol-2-yl]acetamide.
What is the SMILES notation for N-[6-[6-chloro-5-[(4-fluorophenyl)sulfonylamino]-3-pyridinyl]-1,3-benzoxazol-2-yl]acetamide?
The canonical SMILES for N-[6-[6-chloro-5-[(4-fluorophenyl)sulfonylamino]-3-pyridinyl]-1,3-benzoxazol-2-yl]acetamide is CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)cc2o1.
What is the InChIKey of N-[6-[6-chloro-5-[(4-fluorophenyl)sulfonylamino]-3-pyridinyl]-1,3-benzoxazol-2-yl]acetamide?
The InChIKey is QFGPLNAQFOAOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN4O4S/c1-11(27)24-20-25-16-7-2-12(9-18(16)30-20)13-8-17(19(21)23-10-13)26-31(28,29)15-5-3-14(22)4-6-15/h2-10,26H,1H3,(H,24,25,27).
What are the key properties of N-[6-[6-chloro-5-[(4-fluorophenyl)sulfonylamino]-3-pyridinyl]-1,3-benzoxazol-2-yl]acetamide?
N-[6-[6-chloro-5-[(4-fluorophenyl)sulfonylamino]-3-pyridinyl]-1,3-benzoxazol-2-yl]acetamide has a molecular weight of 460.87 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[6-chloro-5-[(4-fluorophenyl)sulfonylamino]-3-pyridinyl]-1,3-benzoxazol-2-yl]acetamide is sourced from PubChem (CID 53387738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).