N-chloro-4-methyl-2-(1,3-thiazol-2-yl)benzenesulfonamide

C10H9ClN2O2S2 — CID 91110245

IUPACN-chloro-4-methyl-2-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCl)c(-c2nccs2)c1
InChIInChI=1S/C10H9ClN2O2S2/c1-7-2-3-9(17(14,15)13-11)8(6-7)10-12-4-5-16-10/h2-6,13H,1H3
InChIKeyAAEMSMBYSIFFQJ-UHFFFAOYSA-N
MW288.78 g/mol
LogP2.55
Rot. Bonds3

About N-chloro-4-methyl-2-(1,3-thiazol-2-yl)benzenesulfonamide

N-chloro-4-methyl-2-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 91110245) has the molecular formula C10H9ClN2O2S2 and a molecular weight of 288.78 g/mol. Its IUPAC name is N-chloro-4-methyl-2-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-chloro-4-methyl-2-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID91110245
Molecular FormulaC10H9ClN2O2S2
Molecular Weight288.78 g/mol
Exact Mass287.98
IUPAC NameN-chloro-4-methyl-2-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCl)c(-c2nccs2)c1
InChIInChI=1S/C10H9ClN2O2S2/c1-7-2-3-9(17(14,15)13-11)8(6-7)10-12-4-5-16-10/h2-6,13H,1H3
InChIKeyAAEMSMBYSIFFQJ-UHFFFAOYSA-N
XLogP2.55
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-chloro-4-methyl-2-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of N-chloro-4-methyl-2-(1,3-thiazol-2-yl)benzenesulfonamide (CID 91110245) is N-chloro-4-methyl-2-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for N-chloro-4-methyl-2-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for N-chloro-4-methyl-2-(1,3-thiazol-2-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NCl)c(-c2nccs2)c1.
What is the InChIKey of N-chloro-4-methyl-2-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is AAEMSMBYSIFFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2S2/c1-7-2-3-9(17(14,15)13-11)8(6-7)10-12-4-5-16-10/h2-6,13H,1H3.
What are the key properties of N-chloro-4-methyl-2-(1,3-thiazol-2-yl)benzenesulfonamide?
N-chloro-4-methyl-2-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 288.78 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-4-methyl-2-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 91110245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).