N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1-hydroxypropyl)benzenesulfonamide

C14H18N2O3S2 — CID 61466425

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1-hydroxypropyl)benzenesulfonamide
SMILESCCC(O)c1cccc(S(=O)(=O)Nc2nc(C)c(C)s2)c1
InChIInChI=1S/C14H18N2O3S2/c1-4-13(17)11-6-5-7-12(8-11)21(18,19)16-14-15-9(2)10(3)20-14/h5-8,13,17H,4H2,1-3H3,(H,15,16)
InChIKeyQPIFALROBCRLPG-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.00
Rot. Bonds5

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1-hydroxypropyl)benzenesulfonamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1-hydroxypropyl)benzenesulfonamide (PubChem CID 61466425) has the molecular formula C14H18N2O3S2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1-hydroxypropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1-hydroxypropyl)benzenesulfonamide
PubChem CID61466425
Molecular FormulaC14H18N2O3S2
Molecular Weight326.44 g/mol
Exact Mass326.08
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1-hydroxypropyl)benzenesulfonamide
SMILESCCC(O)c1cccc(S(=O)(=O)Nc2nc(C)c(C)s2)c1
InChIInChI=1S/C14H18N2O3S2/c1-4-13(17)11-6-5-7-12(8-11)21(18,19)16-14-15-9(2)10(3)20-14/h5-8,13,17H,4H2,1-3H3,(H,15,16)
InChIKeyQPIFALROBCRLPG-UHFFFAOYSA-N
XLogP3.00
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-hydroxypropyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 60874194
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(1-hydroxypropyl)benzenesulfonamide
CID 107642763
3-acetyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 60675322
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 61466424
3-(1-hydroxypropyl)-N-pentan-3-ylbenzenesulfonamide
CID 60874171
N-(5-chloro-2-pyridinyl)-3-(1-hydroxypropyl)benzenesulfonamide
CID 60874543
N-[3-(1-hydroxypropyl)phenyl]benzenesulfonamide
CID 174636480
4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbenzenesulfonamide
CID 60675416
3-(1-hydroxypropyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79360006
3-(1-hydroxypropyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 104764772
4-methyl-2-[(3-methylphenyl)sulfonylamino]-1,3-thiazole-5-sulfonyl chloride
CID 63944652
5-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfamoyl]-2-fluorobenzoic acid
CID 60675390

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1-hydroxypropyl)benzenesulfonamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1-hydroxypropyl)benzenesulfonamide (CID 61466425) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1-hydroxypropyl)benzenesulfonamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1-hydroxypropyl)benzenesulfonamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1-hydroxypropyl)benzenesulfonamide is CCC(O)c1cccc(S(=O)(=O)Nc2nc(C)c(C)s2)c1.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1-hydroxypropyl)benzenesulfonamide?
The InChIKey is QPIFALROBCRLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S2/c1-4-13(17)11-6-5-7-12(8-11)21(18,19)16-14-15-9(2)10(3)20-14/h5-8,13,17H,4H2,1-3H3,(H,15,16).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1-hydroxypropyl)benzenesulfonamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1-hydroxypropyl)benzenesulfonamide has a molecular weight of 326.44 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1-hydroxypropyl)benzenesulfonamide is sourced from PubChem (CID 61466425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).