N-[(2S)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C19H19FN2O4S2 — CID 35433851

IUPACN-[(2S)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(C[C@H](O)COCc1ccccc1F)c1nccs1
InChIInChI=1S/C19H19FN2O4S2/c20-18-9-5-4-6-15(18)13-26-14-16(23)12-22(19-21-10-11-27-19)28(24,25)17-7-2-1-3-8-17/h1-11,16,23H,12-14H2/t16-/m0/s1
InChIKeyVKZXMFSVHBJSQY-INIZCTEOSA-N
MW422.50 g/mol
LogP3.06
Rot. Bonds9

About N-[(2S)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

N-[(2S)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 35433851) has the molecular formula C19H19FN2O4S2 and a molecular weight of 422.50 g/mol. Its IUPAC name is N-[(2S)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID35433851
Molecular FormulaC19H19FN2O4S2
Molecular Weight422.50 g/mol
Exact Mass422.08
IUPAC NameN-[(2S)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(C[C@H](O)COCc1ccccc1F)c1nccs1
InChIInChI=1S/C19H19FN2O4S2/c20-18-9-5-4-6-15(18)13-26-14-16(23)12-22(19-21-10-11-27-19)28(24,25)17-7-2-1-3-8-17/h1-11,16,23H,12-14H2/t16-/m0/s1
InChIKeyVKZXMFSVHBJSQY-INIZCTEOSA-N
XLogP3.06
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 35433928
N-[(2R)-2-hydroxy-3,3-dimethylbutyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 124876257
1-[(2-fluorophenyl)methoxy]-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-ol
CID 110877328
2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-benzylacetamide
CID 17435397
2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-benzyl-N-propan-2-ylacetamide
CID 27805787
N-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 55528148
(2R)-1-(dibutylamino)-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 2314442
N-benzyl-2-fluoro-N-(2-hydroxy-3-phenylmethoxypropyl)benzenesulfonamide
CID 101497565
1-[(2-fluorophenyl)methoxy]-3-(propylamino)propan-2-ol
CID 60634200
1-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 78805385
2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 17455908
N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 27805492

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of N-[(2S)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 35433851) is N-[(2S)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for N-[(2S)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for N-[(2S)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is O=S(=O)(c1ccccc1)N(C[C@H](O)COCc1ccccc1F)c1nccs1.
What is the InChIKey of N-[(2S)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is VKZXMFSVHBJSQY-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19FN2O4S2/c20-18-9-5-4-6-15(18)13-26-14-16(23)12-22(19-21-10-11-27-19)28(24,25)17-7-2-1-3-8-17/h1-11,16,23H,12-14H2/t16-/m0/s1.
What are the key properties of N-[(2S)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
N-[(2S)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 422.50 g/mol, XLogP of 3.06, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 35433851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).