N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-3-chlorobenzenesulfonamide

C14H17ClN2O2S2 — CID 11674607

IUPACN-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-3-chlorobenzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2cccc(Cl)c2)sc1C(C)(C)C
InChIInChI=1S/C14H17ClN2O2S2/c1-9-12(14(2,3)4)20-13(16-9)17-21(18,19)11-7-5-6-10(15)8-11/h5-8H,1-4H3,(H,16,17)
InChIKeyBLANLWDFDWZNQY-UHFFFAOYSA-N
MW344.89 g/mol
LogP4.20
Rot. Bonds3

About N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-3-chlorobenzenesulfonamide

N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-3-chlorobenzenesulfonamide (PubChem CID 11674607) has the molecular formula C14H17ClN2O2S2 and a molecular weight of 344.89 g/mol. Its IUPAC name is N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-3-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-3-chlorobenzenesulfonamide
PubChem CID11674607
Molecular FormulaC14H17ClN2O2S2
Molecular Weight344.89 g/mol
Exact Mass344.04
IUPAC NameN-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-3-chlorobenzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2cccc(Cl)c2)sc1C(C)(C)C
InChIInChI=1S/C14H17ClN2O2S2/c1-9-12(14(2,3)4)20-13(16-9)17-21(18,19)11-7-5-6-10(15)8-11/h5-8H,1-4H3,(H,16,17)
InChIKeyBLANLWDFDWZNQY-UHFFFAOYSA-N
XLogP4.20
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-3-chlorobenzenesulfonamide?
The IUPAC name of N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-3-chlorobenzenesulfonamide (CID 11674607) is N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-3-chlorobenzenesulfonamide.
What is the SMILES notation for N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-3-chlorobenzenesulfonamide?
The canonical SMILES for N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-3-chlorobenzenesulfonamide is Cc1nc(NS(=O)(=O)c2cccc(Cl)c2)sc1C(C)(C)C.
What is the InChIKey of N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-3-chlorobenzenesulfonamide?
The InChIKey is BLANLWDFDWZNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2S2/c1-9-12(14(2,3)4)20-13(16-9)17-21(18,19)11-7-5-6-10(15)8-11/h5-8H,1-4H3,(H,16,17).
What are the key properties of N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-3-chlorobenzenesulfonamide?
N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-3-chlorobenzenesulfonamide has a molecular weight of 344.89 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-3-chlorobenzenesulfonamide is sourced from PubChem (CID 11674607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).