1-(2-chlorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanesulfonamide

C10H8ClN3O4S2 — CID 17257578

IUPAC1-(2-chlorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanesulfonamide
SMILESO=[N+]([O-])c1cnc(NS(=O)(=O)Cc2ccccc2Cl)s1
InChIInChI=1S/C10H8ClN3O4S2/c11-8-4-2-1-3-7(8)6-20(17,18)13-10-12-5-9(19-10)14(15)16/h1-5H,6H2,(H,12,13)
InChIKeyQWVBQPVMLREXIW-UHFFFAOYSA-N
MW333.78 g/mol
LogP2.65
Rot. Bonds5

About 1-(2-chlorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanesulfonamide

1-(2-chlorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanesulfonamide (PubChem CID 17257578) has the molecular formula C10H8ClN3O4S2 and a molecular weight of 333.78 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanesulfonamide
PubChem CID17257578
Molecular FormulaC10H8ClN3O4S2
Molecular Weight333.78 g/mol
Exact Mass332.96
IUPAC Name1-(2-chlorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanesulfonamide
SMILESO=[N+]([O-])c1cnc(NS(=O)(=O)Cc2ccccc2Cl)s1
InChIInChI=1S/C10H8ClN3O4S2/c11-8-4-2-1-3-7(8)6-20(17,18)13-10-12-5-9(19-10)14(15)16/h1-5H,6H2,(H,12,13)
InChIKeyQWVBQPVMLREXIW-UHFFFAOYSA-N
XLogP2.65
TPSA102.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanesulfonamide (CID 17257578) is 1-(2-chlorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanesulfonamide is O=[N+]([O-])c1cnc(NS(=O)(=O)Cc2ccccc2Cl)s1.
What is the InChIKey of 1-(2-chlorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanesulfonamide?
The InChIKey is QWVBQPVMLREXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O4S2/c11-8-4-2-1-3-7(8)6-20(17,18)13-10-12-5-9(19-10)14(15)16/h1-5H,6H2,(H,12,13).
What are the key properties of 1-(2-chlorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanesulfonamide?
1-(2-chlorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanesulfonamide has a molecular weight of 333.78 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanesulfonamide is sourced from PubChem (CID 17257578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).