N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide

C14H14N2O3S2 — CID 62998514

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCC(=O)c1csc(NS(=O)(=O)c2ccc3c(c2)CCC3)n1
InChIInChI=1S/C14H14N2O3S2/c1-9(17)13-8-20-14(15-13)16-21(18,19)12-6-5-10-3-2-4-11(10)7-12/h5-8H,2-4H2,1H3,(H,15,16)
InChIKeyZWRIAXGRLKYSNP-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.64
Rot. Bonds4

About N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide

N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 62998514) has the molecular formula C14H14N2O3S2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID62998514
Molecular FormulaC14H14N2O3S2
Molecular Weight322.41 g/mol
Exact Mass322.04
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCC(=O)c1csc(NS(=O)(=O)c2ccc3c(c2)CCC3)n1
InChIInChI=1S/C14H14N2O3S2/c1-9(17)13-8-20-14(15-13)16-21(18,19)12-6-5-10-3-2-4-11(10)7-12/h5-8H,2-4H2,1H3,(H,15,16)
InChIKeyZWRIAXGRLKYSNP-UHFFFAOYSA-N
XLogP2.64
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetyl-1,3-thiazol-2-yl)-3-amino-4-bromobenzenesulfonamide
CID 115329454
N-(4-acetyl-1,3-thiazol-2-yl)-6-chloropyridine-3-sulfonamide
CID 62997780
N-(4-methyl-1,3-thiazol-2-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 43036913
N-(4-acetyl-1,3-thiazol-2-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 62999070
N-(4-acetyl-1,3-thiazol-2-yl)-3-amino-5-fluorobenzenesulfonamide
CID 64557052
N-(4-acetyl-1,3-thiazol-2-yl)-2,5-difluorobenzenesulfonamide
CID 62998699
N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 24575388
N-(4-acetyl-1,3-thiazol-2-yl)-2,5-dibromobenzenesulfonamide
CID 63000153
1-[2-(propan-2-ylsulfamoylamino)-1,3-thiazol-4-yl]ethanone
CID 114808715
N-(4-acetyl-1,3-thiazol-2-yl)cyclohexanesulfonamide
CID 62999802
N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-4,5-dimethylbenzenesulfonamide
CID 64555855
2-[(4-tert-butylphenyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid
CID 28858371

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide (CID 62998514) is N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide is CC(=O)c1csc(NS(=O)(=O)c2ccc3c(c2)CCC3)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is ZWRIAXGRLKYSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S2/c1-9(17)13-8-20-14(15-13)16-21(18,19)12-6-5-10-3-2-4-11(10)7-12/h5-8H,2-4H2,1H3,(H,15,16).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide?
N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 322.41 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 62998514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).