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

C18H19N3O2S — CID 78809678

IUPACN-[(1-methylbenzimidazol-2-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCn1c(CNS(=O)(=O)c2ccc3c(c2)CCC3)nc2ccccc21
InChIInChI=1S/C18H19N3O2S/c1-21-17-8-3-2-7-16(17)20-18(21)12-19-24(22,23)15-10-9-13-5-4-6-14(13)11-15/h2-3,7-11,19H,4-6,12H2,1H3
InChIKeyFUZSBGKKJUHKJX-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.54
Rot. Bonds4

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

N-[(1-methylbenzimidazol-2-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 78809678) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-[(1-methylbenzimidazol-2-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-[(1-methylbenzimidazol-2-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID78809678
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-[(1-methylbenzimidazol-2-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCn1c(CNS(=O)(=O)c2ccc3c(c2)CCC3)nc2ccccc21
InChIInChI=1S/C18H19N3O2S/c1-21-17-8-3-2-7-16(17)20-18(21)12-19-24(22,23)15-10-9-13-5-4-6-14(13)11-15/h2-3,7-11,19H,4-6,12H2,1H3
InChIKeyFUZSBGKKJUHKJX-UHFFFAOYSA-N
XLogP2.54
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide
CID 18197789
3-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 55689465
N-[(1-methylbenzimidazol-2-yl)methyl]methanesulfonamide
CID 110712040
N,N-dimethyl-3-[(1-methylbenzimidazol-2-yl)methylsulfamoyl]benzamide
CID 74238376
N-(1,3-benzothiazol-2-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 32944502
2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide
CID 78809665
2,6-difluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide
CID 78809672
N-[(1-methylbenzimidazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688305
4-N-benzyl-4-N-ethyl-1-N-[(1-methylbenzimidazol-2-yl)methyl]benzene-1,4-disulfonamide
CID 1168577
N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 43212855
N-[(1,2,5-trimethylpyrrol-3-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110642085
N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 91947888

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide (CID 78809678) is N-[(1-methylbenzimidazol-2-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-[(1-methylbenzimidazol-2-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-[(1-methylbenzimidazol-2-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide is Cn1c(CNS(=O)(=O)c2ccc3c(c2)CCC3)nc2ccccc21.
What is the InChIKey of N-[(1-methylbenzimidazol-2-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is FUZSBGKKJUHKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-21-17-8-3-2-7-16(17)20-18(21)12-19-24(22,23)15-10-9-13-5-4-6-14(13)11-15/h2-3,7-11,19H,4-6,12H2,1H3.
What are the key properties of N-[(1-methylbenzimidazol-2-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide?
N-[(1-methylbenzimidazol-2-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 341.44 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylbenzimidazol-2-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 78809678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).