N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide

C14H16N2O2S2 — CID 110739068

IUPACN-[(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2ccc3c(c2)CCC3)s1
InChIInChI=1S/C14H16N2O2S2/c1-10-8-15-14(19-10)9-16-20(17,18)13-6-5-11-3-2-4-12(11)7-13/h5-8,16H,2-4,9H2,1H3
InChIKeyCRRWDCSDVKFATA-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.42
Rot. Bonds4

About N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide

N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 110739068) has the molecular formula C14H16N2O2S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-[(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID110739068
Molecular FormulaC14H16N2O2S2
Molecular Weight308.43 g/mol
Exact Mass308.07
IUPAC NameN-[(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2ccc3c(c2)CCC3)s1
InChIInChI=1S/C14H16N2O2S2/c1-10-8-15-14(19-10)9-16-20(17,18)13-6-5-11-3-2-4-12(11)7-13/h5-8,16H,2-4,9H2,1H3
InChIKeyCRRWDCSDVKFATA-UHFFFAOYSA-N
XLogP2.42
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-oxo-3H-indole-5-sulfonamide
CID 110739056
N-(5-methyl-1,3-thiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 35523329
4-fluoro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 110739007
3-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 104868457
3-bromo-4-methoxy-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 103697865
N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 43212855
1-(2,3-dihydro-1H-inden-5-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 103786274
N-(1,3-benzothiazol-2-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 32944502
4-amino-3,5-dichloro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 167814406
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 61022852
N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 35764559
N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 39855189

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide (CID 110739068) is N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide is Cc1cnc(CNS(=O)(=O)c2ccc3c(c2)CCC3)s1.
What is the InChIKey of N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is CRRWDCSDVKFATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S2/c1-10-8-15-14(19-10)9-16-20(17,18)13-6-5-11-3-2-4-12(11)7-13/h5-8,16H,2-4,9H2,1H3.
What are the key properties of N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide?
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 308.43 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 110739068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).