5-(4-chlorophenyl)sulfonyl-1,3-thiazol-2-amine

C9H7ClN2O2S2 — CID 87904343

IUPAC5-(4-chlorophenyl)sulfonyl-1,3-thiazol-2-amine
SMILESNc1ncc(S(=O)(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C9H7ClN2O2S2/c10-6-1-3-7(4-2-6)16(13,14)8-5-12-9(11)15-8/h1-5H,(H2,11,12)
InChIKeyRLAFGXPUWSOWCR-UHFFFAOYSA-N
MW274.75 g/mol
LogP2.21
Rot. Bonds2

About 5-(4-chlorophenyl)sulfonyl-1,3-thiazol-2-amine

5-(4-chlorophenyl)sulfonyl-1,3-thiazol-2-amine (PubChem CID 87904343) has the molecular formula C9H7ClN2O2S2 and a molecular weight of 274.75 g/mol. Its IUPAC name is 5-(4-chlorophenyl)sulfonyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)sulfonyl-1,3-thiazol-2-amine
PubChem CID87904343
Molecular FormulaC9H7ClN2O2S2
Molecular Weight274.75 g/mol
Exact Mass273.96
IUPAC Name5-(4-chlorophenyl)sulfonyl-1,3-thiazol-2-amine
SMILESNc1ncc(S(=O)(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C9H7ClN2O2S2/c10-6-1-3-7(4-2-6)16(13,14)8-5-12-9(11)15-8/h1-5H,(H2,11,12)
InChIKeyRLAFGXPUWSOWCR-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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)sulfonyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(4-chlorophenyl)sulfonyl-1,3-thiazol-2-amine (CID 87904343) is 5-(4-chlorophenyl)sulfonyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)sulfonyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)sulfonyl-1,3-thiazol-2-amine is Nc1ncc(S(=O)(=O)c2ccc(Cl)cc2)s1.
What is the InChIKey of 5-(4-chlorophenyl)sulfonyl-1,3-thiazol-2-amine?
The InChIKey is RLAFGXPUWSOWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2S2/c10-6-1-3-7(4-2-6)16(13,14)8-5-12-9(11)15-8/h1-5H,(H2,11,12).
What are the key properties of 5-(4-chlorophenyl)sulfonyl-1,3-thiazol-2-amine?
5-(4-chlorophenyl)sulfonyl-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 5-(4-chlorophenyl)sulfonyl-1,3-thiazol-2-amine is sourced from PubChem (CID 87904343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).