N-[5-[2-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide

C20H15ClN4O4S2 — CID 87176986

IUPACN-[5-[2-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESCc1nc(NC(=O)c2ccco2)sc1-c1ccc(Cl)nc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H15ClN4O4S2/c1-12-17(30-20(22-12)24-19(26)15-8-5-11-29-15)14-9-10-16(21)23-18(14)25-31(27,28)13-6-3-2-4-7-13/h2-11H,1H3,(H,23,25)(H,22,24,26)
InChIKeyLRHLOZQGEWOLKR-UHFFFAOYSA-N
MW474.95 g/mol
LogP4.81
Rot. Bonds6

About N-[5-[2-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide

N-[5-[2-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 87176986) has the molecular formula C20H15ClN4O4S2 and a molecular weight of 474.95 g/mol. Its IUPAC name is N-[5-[2-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide
PubChem CID87176986
Molecular FormulaC20H15ClN4O4S2
Molecular Weight474.95 g/mol
Exact Mass474.02
IUPAC NameN-[5-[2-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESCc1nc(NC(=O)c2ccco2)sc1-c1ccc(Cl)nc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H15ClN4O4S2/c1-12-17(30-20(22-12)24-19(26)15-8-5-11-29-15)14-9-10-16(21)23-18(14)25-31(27,28)13-6-3-2-4-7-13/h2-11H,1H3,(H,23,25)(H,22,24,26)
InChIKeyLRHLOZQGEWOLKR-UHFFFAOYSA-N
XLogP4.81
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.95
LogP ≤ 54.81
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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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[2-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide (CID 87176986) is N-[5-[2-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[2-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[2-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide is Cc1nc(NC(=O)c2ccco2)sc1-c1ccc(Cl)nc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[5-[2-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide?
The InChIKey is LRHLOZQGEWOLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O4S2/c1-12-17(30-20(22-12)24-19(26)15-8-5-11-29-15)14-9-10-16(21)23-18(14)25-31(27,28)13-6-3-2-4-7-13/h2-11H,1H3,(H,23,25)(H,22,24,26).
What are the key properties of N-[5-[2-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide?
N-[5-[2-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 474.95 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 87176986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).