N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide

C14H16N2O3S2 — CID 97245674

IUPACN-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(C)c(S(=O)(=O)N[C@@H]2c3ccccc3C[C@H]2O)s1
InChIInChI=1S/C14H16N2O3S2/c1-8-14(20-9(2)15-8)21(18,19)16-13-11-6-4-3-5-10(11)7-12(13)17/h3-6,12-13,16-17H,7H2,1-2H3/t12-,13-/m1/s1
InChIKeyMCSQMRDUTWSGSL-CHWSQXEVSA-N
MW324.43 g/mol
LogP1.70
Rot. Bonds3

About N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide

N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide (PubChem CID 97245674) has the molecular formula C14H16N2O3S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide
PubChem CID97245674
Molecular FormulaC14H16N2O3S2
Molecular Weight324.43 g/mol
Exact Mass324.06
IUPAC NameN-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(C)c(S(=O)(=O)N[C@@H]2c3ccccc3C[C@H]2O)s1
InChIInChI=1S/C14H16N2O3S2/c1-8-14(20-9(2)15-8)21(18,19)16-13-11-6-4-3-5-10(11)7-12(13)17/h3-6,12-13,16-17H,7H2,1-2H3/t12-,13-/m1/s1
InChIKeyMCSQMRDUTWSGSL-CHWSQXEVSA-N
XLogP1.70
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847936
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61367599
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
CID 103684490
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
CID 103684497
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzenesulfonamide
CID 165430397
5-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)thiophene-2-sulfonamide
CID 6736413
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiophene-2-sulfonamide
CID 103825580
2-amino-N-(2,3-dihydro-1H-inden-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 107855913
2,5-dibromo-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiophene-3-sulfonamide
CID 102739058
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylpyrazole-3-sulfonamide
CID 104773010
2-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide
CID 103825572
5-bromo-4-chloro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)thiophene-2-sulfonamide
CID 80577493

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide (CID 97245674) is N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide is Cc1nc(C)c(S(=O)(=O)N[C@@H]2c3ccccc3C[C@H]2O)s1.
What is the InChIKey of N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide?
The InChIKey is MCSQMRDUTWSGSL-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H16N2O3S2/c1-8-14(20-9(2)15-8)21(18,19)16-13-11-6-4-3-5-10(11)7-12(13)17/h3-6,12-13,16-17H,7H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide?
N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide has a molecular weight of 324.43 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 97245674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).