N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]naphthalene-2-sulfonamide

C18H20N2O3S2 — CID 11545304

IUPACN-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]naphthalene-2-sulfonamide
SMILESCCC(O)(CC)c1csc(NS(=O)(=O)c2ccc3ccccc3c2)n1
InChIInChI=1S/C18H20N2O3S2/c1-3-18(21,4-2)16-12-24-17(19-16)20-25(22,23)15-10-9-13-7-5-6-8-14(13)11-15/h5-12,21H,3-4H2,1-2H3,(H,19,20)
InChIKeyOUUFVGBZVLXWBB-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.10
Rot. Bonds6

About N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]naphthalene-2-sulfonamide

N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]naphthalene-2-sulfonamide (PubChem CID 11545304) has the molecular formula C18H20N2O3S2 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]naphthalene-2-sulfonamide
PubChem CID11545304
Molecular FormulaC18H20N2O3S2
Molecular Weight376.50 g/mol
Exact Mass376.09
IUPAC NameN-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]naphthalene-2-sulfonamide
SMILESCCC(O)(CC)c1csc(NS(=O)(=O)c2ccc3ccccc3c2)n1
InChIInChI=1S/C18H20N2O3S2/c1-3-18(21,4-2)16-12-24-17(19-16)20-25(22,23)15-10-9-13-7-5-6-8-14(13)11-15/h5-12,21H,3-4H2,1-2H3,(H,19,20)
InChIKeyOUUFVGBZVLXWBB-UHFFFAOYSA-N
XLogP4.10
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 11703994
N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 87757519
N-(2-ethyl-2-hydroxybutyl)naphthalene-2-sulfonamide
CID 65112958
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-chlorobenzenesulfonamide
CID 4527165
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 5234678
N-[4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide
CID 13219373
N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-oxo-1H-quinoline-6-sulfonamide
CID 154863535
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzenesulfonamide
CID 81241206
4-methoxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 656127
N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide
CID 86247528
3-(1-hydroxypropyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 60874194
N-(5-ethylsulfonyl-2-hydroxyphenyl)naphthalene-2-sulfonamide
CID 2439926

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]naphthalene-2-sulfonamide?
The IUPAC name of N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]naphthalene-2-sulfonamide (CID 11545304) is N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]naphthalene-2-sulfonamide is CCC(O)(CC)c1csc(NS(=O)(=O)c2ccc3ccccc3c2)n1.
What is the InChIKey of N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]naphthalene-2-sulfonamide?
The InChIKey is OUUFVGBZVLXWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S2/c1-3-18(21,4-2)16-12-24-17(19-16)20-25(22,23)15-10-9-13-7-5-6-8-14(13)11-15/h5-12,21H,3-4H2,1-2H3,(H,19,20).
What are the key properties of N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]naphthalene-2-sulfonamide?
N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]naphthalene-2-sulfonamide has a molecular weight of 376.50 g/mol, XLogP of 4.10, 6 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]naphthalene-2-sulfonamide is sourced from PubChem (CID 11545304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).