N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]-4-propan-2-ylbenzenesulfonamide

C17H24N2O3S2 — CID 11508931

IUPACN-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]-4-propan-2-ylbenzenesulfonamide
SMILESCCC(O)(CC)c1csc(NS(=O)(=O)c2ccc(C(C)C)cc2)n1
InChIInChI=1S/C17H24N2O3S2/c1-5-17(20,6-2)15-11-23-16(18-15)19-24(21,22)14-9-7-13(8-10-14)12(3)4/h7-12,20H,5-6H2,1-4H3,(H,18,19)
InChIKeySSUWNGSWRNCXJX-UHFFFAOYSA-N
MW368.52 g/mol
LogP4.07
Rot. Bonds7

About N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]-4-propan-2-ylbenzenesulfonamide

N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]-4-propan-2-ylbenzenesulfonamide (PubChem CID 11508931) has the molecular formula C17H24N2O3S2 and a molecular weight of 368.52 g/mol. Its IUPAC name is N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]-4-propan-2-ylbenzenesulfonamide
PubChem CID11508931
Molecular FormulaC17H24N2O3S2
Molecular Weight368.52 g/mol
Exact Mass368.12
IUPAC NameN-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]-4-propan-2-ylbenzenesulfonamide
SMILESCCC(O)(CC)c1csc(NS(=O)(=O)c2ccc(C(C)C)cc2)n1
InChIInChI=1S/C17H24N2O3S2/c1-5-17(20,6-2)15-11-23-16(18-15)19-24(21,22)14-9-7-13(8-10-14)12(3)4/h7-12,20H,5-6H2,1-4H3,(H,18,19)
InChIKeySSUWNGSWRNCXJX-UHFFFAOYSA-N
XLogP4.07
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]-4-propan-2-ylbenzenesulfonamide (CID 11508931) is N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]-4-propan-2-ylbenzenesulfonamide is CCC(O)(CC)c1csc(NS(=O)(=O)c2ccc(C(C)C)cc2)n1.
What is the InChIKey of N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]-4-propan-2-ylbenzenesulfonamide?
The InChIKey is SSUWNGSWRNCXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S2/c1-5-17(20,6-2)15-11-23-16(18-15)19-24(21,22)14-9-7-13(8-10-14)12(3)4/h7-12,20H,5-6H2,1-4H3,(H,18,19).
What are the key properties of N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]-4-propan-2-ylbenzenesulfonamide?
N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]-4-propan-2-ylbenzenesulfonamide has a molecular weight of 368.52 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 11508931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).