4-methyl-2-(propan-2-ylsulfonylamino)-1,3-thiazole-5-sulfonyl chloride

C7H11ClN2O4S3 — CID 63946632

IUPAC4-methyl-2-(propan-2-ylsulfonylamino)-1,3-thiazole-5-sulfonyl chloride
SMILESCc1nc(NS(=O)(=O)C(C)C)sc1S(=O)(=O)Cl
InChIInChI=1S/C7H11ClN2O4S3/c1-4(2)17(13,14)10-7-9-5(3)6(15-7)16(8,11)12/h4H,1-3H3,(H,9,10)
InChIKeyXMIPAVNIUJMLIV-UHFFFAOYSA-N
MW318.83 g/mol
LogP1.53
Rot. Bonds4

About 4-methyl-2-(propan-2-ylsulfonylamino)-1,3-thiazole-5-sulfonyl chloride

4-methyl-2-(propan-2-ylsulfonylamino)-1,3-thiazole-5-sulfonyl chloride (PubChem CID 63946632) has the molecular formula C7H11ClN2O4S3 and a molecular weight of 318.83 g/mol. Its IUPAC name is 4-methyl-2-(propan-2-ylsulfonylamino)-1,3-thiazole-5-sulfonyl chloride.

Molecular Properties

Compound Name4-methyl-2-(propan-2-ylsulfonylamino)-1,3-thiazole-5-sulfonyl chloride
PubChem CID63946632
Molecular FormulaC7H11ClN2O4S3
Molecular Weight318.83 g/mol
Exact Mass317.96
IUPAC Name4-methyl-2-(propan-2-ylsulfonylamino)-1,3-thiazole-5-sulfonyl chloride
SMILESCc1nc(NS(=O)(=O)C(C)C)sc1S(=O)(=O)Cl
InChIInChI=1S/C7H11ClN2O4S3/c1-4(2)17(13,14)10-7-9-5(3)6(15-7)16(8,11)12/h4H,1-3H3,(H,9,10)
InChIKeyXMIPAVNIUJMLIV-UHFFFAOYSA-N
XLogP1.53
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(propan-2-ylsulfonylamino)-1,3-thiazole-5-sulfonyl chloride?
The IUPAC name of 4-methyl-2-(propan-2-ylsulfonylamino)-1,3-thiazole-5-sulfonyl chloride (CID 63946632) is 4-methyl-2-(propan-2-ylsulfonylamino)-1,3-thiazole-5-sulfonyl chloride.
What is the SMILES notation for 4-methyl-2-(propan-2-ylsulfonylamino)-1,3-thiazole-5-sulfonyl chloride?
The canonical SMILES for 4-methyl-2-(propan-2-ylsulfonylamino)-1,3-thiazole-5-sulfonyl chloride is Cc1nc(NS(=O)(=O)C(C)C)sc1S(=O)(=O)Cl.
What is the InChIKey of 4-methyl-2-(propan-2-ylsulfonylamino)-1,3-thiazole-5-sulfonyl chloride?
The InChIKey is XMIPAVNIUJMLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2O4S3/c1-4(2)17(13,14)10-7-9-5(3)6(15-7)16(8,11)12/h4H,1-3H3,(H,9,10).
What are the key properties of 4-methyl-2-(propan-2-ylsulfonylamino)-1,3-thiazole-5-sulfonyl chloride?
4-methyl-2-(propan-2-ylsulfonylamino)-1,3-thiazole-5-sulfonyl chloride has a molecular weight of 318.83 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(propan-2-ylsulfonylamino)-1,3-thiazole-5-sulfonyl chloride is sourced from PubChem (CID 63946632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).