4-[5-[4-(2-hydroxypropan-2-yl)phenyl]-2-methyl-1,3-thiazol-4-yl]benzenesulfonamide

C19H20N2O3S2 — CID 20658583

IUPAC4-[5-[4-(2-hydroxypropan-2-yl)phenyl]-2-methyl-1,3-thiazol-4-yl]benzenesulfonamide
SMILESCc1nc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(C(C)(C)O)cc2)s1
InChIInChI=1S/C19H20N2O3S2/c1-12-21-17(13-6-10-16(11-7-13)26(20,23)24)18(25-12)14-4-8-15(9-5-14)19(2,3)22/h4-11,22H,1-3H3,(H2,20,23,24)
InChIKeyVLAFQVKJBOXPHL-UHFFFAOYSA-N
MW388.51 g/mol
LogP3.66
Rot. Bonds4

About 4-[5-[4-(2-hydroxypropan-2-yl)phenyl]-2-methyl-1,3-thiazol-4-yl]benzenesulfonamide

4-[5-[4-(2-hydroxypropan-2-yl)phenyl]-2-methyl-1,3-thiazol-4-yl]benzenesulfonamide (PubChem CID 20658583) has the molecular formula C19H20N2O3S2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 4-[5-[4-(2-hydroxypropan-2-yl)phenyl]-2-methyl-1,3-thiazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-[4-(2-hydroxypropan-2-yl)phenyl]-2-methyl-1,3-thiazol-4-yl]benzenesulfonamide
PubChem CID20658583
Molecular FormulaC19H20N2O3S2
Molecular Weight388.51 g/mol
Exact Mass388.09
IUPAC Name4-[5-[4-(2-hydroxypropan-2-yl)phenyl]-2-methyl-1,3-thiazol-4-yl]benzenesulfonamide
SMILESCc1nc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(C(C)(C)O)cc2)s1
InChIInChI=1S/C19H20N2O3S2/c1-12-21-17(13-6-10-16(11-7-13)26(20,23)24)18(25-12)14-4-8-15(9-5-14)19(2,3)22/h4-11,22H,1-3H3,(H2,20,23,24)
InChIKeyVLAFQVKJBOXPHL-UHFFFAOYSA-N
XLogP3.66
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-(2-hydroxypropan-2-yl)phenyl]-2-methyl-1,3-thiazol-4-yl]benzenesulfonamide?
The IUPAC name of 4-[5-[4-(2-hydroxypropan-2-yl)phenyl]-2-methyl-1,3-thiazol-4-yl]benzenesulfonamide (CID 20658583) is 4-[5-[4-(2-hydroxypropan-2-yl)phenyl]-2-methyl-1,3-thiazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-[4-(2-hydroxypropan-2-yl)phenyl]-2-methyl-1,3-thiazol-4-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-[4-(2-hydroxypropan-2-yl)phenyl]-2-methyl-1,3-thiazol-4-yl]benzenesulfonamide is Cc1nc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(C(C)(C)O)cc2)s1.
What is the InChIKey of 4-[5-[4-(2-hydroxypropan-2-yl)phenyl]-2-methyl-1,3-thiazol-4-yl]benzenesulfonamide?
The InChIKey is VLAFQVKJBOXPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S2/c1-12-21-17(13-6-10-16(11-7-13)26(20,23)24)18(25-12)14-4-8-15(9-5-14)19(2,3)22/h4-11,22H,1-3H3,(H2,20,23,24).
What are the key properties of 4-[5-[4-(2-hydroxypropan-2-yl)phenyl]-2-methyl-1,3-thiazol-4-yl]benzenesulfonamide?
4-[5-[4-(2-hydroxypropan-2-yl)phenyl]-2-methyl-1,3-thiazol-4-yl]benzenesulfonamide has a molecular weight of 388.51 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-(2-hydroxypropan-2-yl)phenyl]-2-methyl-1,3-thiazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 20658583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).