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

C13H16N2O3S2 — CID 60874194

IUPAC3-(1-hydroxypropyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCCC(O)c1cccc(S(=O)(=O)Nc2nc(C)cs2)c1
InChIInChI=1S/C13H16N2O3S2/c1-3-12(16)10-5-4-6-11(7-10)20(17,18)15-13-14-9(2)8-19-13/h4-8,12,16H,3H2,1-2H3,(H,14,15)
InChIKeyIQMLPODPQBOFNV-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.70
Rot. Bonds5

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

3-(1-hydroxypropyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 60874194) has the molecular formula C13H16N2O3S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 3-(1-hydroxypropyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(1-hydroxypropyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID60874194
Molecular FormulaC13H16N2O3S2
Molecular Weight312.42 g/mol
Exact Mass312.06
IUPAC Name3-(1-hydroxypropyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCCC(O)c1cccc(S(=O)(=O)Nc2nc(C)cs2)c1
InChIInChI=1S/C13H16N2O3S2/c1-3-12(16)10-5-4-6-11(7-10)20(17,18)15-13-14-9(2)8-19-13/h4-8,12,16H,3H2,1-2H3,(H,14,15)
InChIKeyIQMLPODPQBOFNV-UHFFFAOYSA-N
XLogP2.70
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-chloro-N-[4-[(3-fluorophenyl)-hydroxymethyl]-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
CID 87756455
2-fluoro-N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]-5-methylbenzenesulfonamide
CID 87756681
4-fluoro-N-[4-(3-hydroxypentyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
CID 87756750
4-fluoro-N-[4-(2-hydroxybutyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
CID 87756852
N-chloro-N-[4-[(4-fluorophenyl)-hydroxymethyl]-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
CID 91165350
5-fluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
CID 64572651
4-fluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
CID 64573513
2,4-difluoro-3-(hydroxymethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 65736190
2-fluoro-5-(hydroxymethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 65736762
4-fluoro-3-(hydroxymethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 65736958
4-fluoro-3-(hydroxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 105949477
2-fluoro-5-(hydroxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 105949500

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxypropyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 3-(1-hydroxypropyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide (CID 60874194) is 3-(1-hydroxypropyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-(1-hydroxypropyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 3-(1-hydroxypropyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide is CCC(O)c1cccc(S(=O)(=O)Nc2nc(C)cs2)c1.
What is the InChIKey of 3-(1-hydroxypropyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is IQMLPODPQBOFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S2/c1-3-12(16)10-5-4-6-11(7-10)20(17,18)15-13-14-9(2)8-19-13/h4-8,12,16H,3H2,1-2H3,(H,14,15).
What are the key properties of 3-(1-hydroxypropyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
3-(1-hydroxypropyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 312.42 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxypropyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 60874194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).