4-(benzenesulfonyl)-5-chloro-1,3-thiazol-2-amine

C9H7ClN2O2S2 — CID 676564

IUPAC4-(benzenesulfonyl)-5-chloro-1,3-thiazol-2-amine
SMILESNc1nc(S(=O)(=O)c2ccccc2)c(Cl)s1
InChIInChI=1S/C9H7ClN2O2S2/c10-7-8(12-9(11)15-7)16(13,14)6-4-2-1-3-5-6/h1-5H,(H2,11,12)
InChIKeyQCBUMBWZWMGJCW-UHFFFAOYSA-N
MW274.75 g/mol
LogP2.21
Rot. Bonds2

About 4-(benzenesulfonyl)-5-chloro-1,3-thiazol-2-amine

4-(benzenesulfonyl)-5-chloro-1,3-thiazol-2-amine (PubChem CID 676564) has the molecular formula C9H7ClN2O2S2 and a molecular weight of 274.75 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-5-chloro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-5-chloro-1,3-thiazol-2-amine
PubChem CID676564
Molecular FormulaC9H7ClN2O2S2
Molecular Weight274.75 g/mol
Exact Mass273.96
IUPAC Name4-(benzenesulfonyl)-5-chloro-1,3-thiazol-2-amine
SMILESNc1nc(S(=O)(=O)c2ccccc2)c(Cl)s1
InChIInChI=1S/C9H7ClN2O2S2/c10-7-8(12-9(11)15-7)16(13,14)6-4-2-1-3-5-6/h1-5H,(H2,11,12)
InChIKeyQCBUMBWZWMGJCW-UHFFFAOYSA-N
XLogP2.21
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(benzenesulfonyl)-5-chloro-1,3-thiazol-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-5-chloro-1,3-thiazol-2-amine?
The IUPAC name of 4-(benzenesulfonyl)-5-chloro-1,3-thiazol-2-amine (CID 676564) is 4-(benzenesulfonyl)-5-chloro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(benzenesulfonyl)-5-chloro-1,3-thiazol-2-amine?
The canonical SMILES for 4-(benzenesulfonyl)-5-chloro-1,3-thiazol-2-amine is Nc1nc(S(=O)(=O)c2ccccc2)c(Cl)s1.
What is the InChIKey of 4-(benzenesulfonyl)-5-chloro-1,3-thiazol-2-amine?
The InChIKey is QCBUMBWZWMGJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2S2/c10-7-8(12-9(11)15-7)16(13,14)6-4-2-1-3-5-6/h1-5H,(H2,11,12).
What are the key properties of 4-(benzenesulfonyl)-5-chloro-1,3-thiazol-2-amine?
4-(benzenesulfonyl)-5-chloro-1,3-thiazol-2-amine has a molecular weight of 274.75 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-5-chloro-1,3-thiazol-2-amine is sourced from PubChem (CID 676564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).