4-chloro-N-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide

C13H15ClN2O2S2 — CID 3765073

IUPAC4-chloro-N-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2ccc(Cl)cc2)sc1C(C)C
InChIInChI=1S/C13H15ClN2O2S2/c1-8(2)12-9(3)15-13(19-12)16-20(17,18)11-6-4-10(14)5-7-11/h4-8H,1-3H3,(H,15,16)
InChIKeyWENULZIIWVKBBQ-UHFFFAOYSA-N
MW330.86 g/mol
LogP4.03
Rot. Bonds4

About 4-chloro-N-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide

4-chloro-N-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 3765073) has the molecular formula C13H15ClN2O2S2 and a molecular weight of 330.86 g/mol. Its IUPAC name is 4-chloro-N-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID3765073
Molecular FormulaC13H15ClN2O2S2
Molecular Weight330.86 g/mol
Exact Mass330.03
IUPAC Name4-chloro-N-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2ccc(Cl)cc2)sc1C(C)C
InChIInChI=1S/C13H15ClN2O2S2/c1-8(2)12-9(3)15-13(19-12)16-20(17,18)11-6-4-10(14)5-7-11/h4-8H,1-3H3,(H,15,16)
InChIKeyWENULZIIWVKBBQ-UHFFFAOYSA-N
XLogP4.03
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide (CID 3765073) is 4-chloro-N-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide is Cc1nc(NS(=O)(=O)c2ccc(Cl)cc2)sc1C(C)C.
What is the InChIKey of 4-chloro-N-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is WENULZIIWVKBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2S2/c1-8(2)12-9(3)15-13(19-12)16-20(17,18)11-6-4-10(14)5-7-11/h4-8H,1-3H3,(H,15,16).
What are the key properties of 4-chloro-N-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide?
4-chloro-N-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 330.86 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 3765073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).