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

C17H15ClN4O3S2 — CID 87177095

IUPACN-[5-[2-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2ccc(Cl)nc2NS(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C17H15ClN4O3S2/c1-10-15(26-17(19-10)20-11(2)23)13-8-9-14(18)21-16(13)22-27(24,25)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,21,22)(H,19,20,23)
InChIKeySZMSMNNJQPQMHH-UHFFFAOYSA-N
MW422.92 g/mol
LogP3.93
Rot. Bonds5

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

N-[5-[2-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 87177095) has the molecular formula C17H15ClN4O3S2 and a molecular weight of 422.92 g/mol. Its IUPAC name is N-[5-[2-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[2-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID87177095
Molecular FormulaC17H15ClN4O3S2
Molecular Weight422.92 g/mol
Exact Mass422.03
IUPAC NameN-[5-[2-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2ccc(Cl)nc2NS(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C17H15ClN4O3S2/c1-10-15(26-17(19-10)20-11(2)23)13-8-9-14(18)21-16(13)22-27(24,25)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,21,22)(H,19,20,23)
InChIKeySZMSMNNJQPQMHH-UHFFFAOYSA-N
XLogP3.93
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.92
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[2-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide
CID 87176986
N-[5-[5-(benzenesulfonamido)-2-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 86620407
N-[5-(benzenesulfonamidocarbamoyl)-4-methyl-1,3-thiazol-2-yl]acetamide
CID 24939194
2-(benzenesulfonamido)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20983476
N-[5-[5-[(2-fluorophenyl)sulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 59362205
N-[5-(benzenesulfonamido)-1,3-thiazol-2-yl]acetamide
CID 71326100
N-[5-(benzenesulfonamido)-1,3-benzothiazol-2-yl]acetamide
CID 20971886
N-[5-[3-(2-hydroxyethylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 87061286
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(benzenesulfonamido)benzamide
CID 7541869
N-[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-2-phenylmethoxyacetamide
CID 86620385
N-[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 87177165
N-[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 87176825

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[2-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide (CID 87177095) is N-[5-[2-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[2-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[2-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2ccc(Cl)nc2NS(=O)(=O)c2ccccc2)s1.
What is the InChIKey of N-[5-[2-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is SZMSMNNJQPQMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O3S2/c1-10-15(26-17(19-10)20-11(2)23)13-8-9-14(18)21-16(13)22-27(24,25)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,21,22)(H,19,20,23).
What are the key properties of N-[5-[2-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
N-[5-[2-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 422.92 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 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]acetamide is sourced from PubChem (CID 87177095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).