4-(2-methylbutan-2-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide

C14H18N2O2S2 — CID 166217835

IUPAC4-(2-methylbutan-2-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCCC(C)(C)c1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C14H18N2O2S2/c1-4-14(2,3)11-5-7-12(8-6-11)20(17,18)16-13-15-9-10-19-13/h5-10H,4H2,1-3H3,(H,15,16)
InChIKeyCIQZFGUNDWAGJN-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.63
Rot. Bonds5

About 4-(2-methylbutan-2-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-(2-methylbutan-2-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 166217835) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID166217835
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC Name4-(2-methylbutan-2-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCCC(C)(C)c1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C14H18N2O2S2/c1-4-14(2,3)11-5-7-12(8-6-11)20(17,18)16-13-15-9-10-19-13/h5-10H,4H2,1-3H3,(H,15,16)
InChIKeyCIQZFGUNDWAGJN-UHFFFAOYSA-N
XLogP3.63
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;4-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 145483672
4-(methanesulfonamido)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 653937
4-(2-methylbutan-2-yl)-N-pyridin-2-ylbenzenesulfonamide
CID 3809998
4-[2-(propan-2-ylamino)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 106031784
4-[1-(ethylamino)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 43506679
3,3-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 17368902
3-amino-4-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 43256868
3-[[4-(2-methylbutan-2-yl)phenyl]sulfonylamino]thiophene-2-carboxylate
CID 59180411
4-(2-methyl-2-propan-2-ylsulfanylpropyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 170091244
4-(2-chloroethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 28719509
1-methyl-4-(2-methylbutan-2-yl)benzene;N-(1,3-thiazol-2-yl)formamide
CID 142832976
4-benzylsulfonyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 87471470

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-(2-methylbutan-2-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 166217835) is 4-(2-methylbutan-2-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(2-methylbutan-2-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide is CCC(C)(C)c1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 4-(2-methylbutan-2-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is CIQZFGUNDWAGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-4-14(2,3)11-5-7-12(8-6-11)20(17,18)16-13-15-9-10-19-13/h5-10H,4H2,1-3H3,(H,15,16).
What are the key properties of 4-(2-methylbutan-2-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-(2-methylbutan-2-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 310.44 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 166217835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).