N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide

C19H21N3O3S — CID 50796604

IUPACN-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCc1cc2c(cc1NS(=O)(=O)c1ccc3c(c1)CCC3)n(C)c(=O)n2C
InChIInChI=1S/C19H21N3O3S/c1-12-9-17-18(22(3)19(23)21(17)2)11-16(12)20-26(24,25)15-8-7-13-5-4-6-14(13)10-15/h7-11,20H,4-6H2,1-3H3
InChIKeyQDNLZEURBSSCOC-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.47
Rot. Bonds3

About N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide

N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 50796604) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID50796604
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCc1cc2c(cc1NS(=O)(=O)c1ccc3c(c1)CCC3)n(C)c(=O)n2C
InChIInChI=1S/C19H21N3O3S/c1-12-9-17-18(22(3)19(23)21(17)2)11-16(12)20-26(24,25)15-8-7-13-5-4-6-14(13)10-15/h7-11,20H,4-6H2,1-3H3
InChIKeyQDNLZEURBSSCOC-UHFFFAOYSA-N
XLogP2.47
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1,3-dimethyl-6-(4-methylphenyl)sulfanyl-2-oxobenzimidazol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 50772695
N-(6-chloro-1,3-dimethyl-2-oxobenzimidazol-5-yl)-3,4-dimethylbenzenesulfonamide
CID 50796594
N-[5-(hydroxymethyl)-2-methylphenyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 111444697
N-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 17426352
N-(5-bromo-2-chlorophenyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 62908088
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 129398844
N-(2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 71917726
N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 43212855
1,3,6-trimethyl-N-(2-methylphenyl)-2-oxobenzimidazole-5-sulfonamide
CID 53092106
N-(2,3-dihydro-1H-inden-5-yl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 25417411
N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3,4-dimethylbenzenesulfonamide
CID 50796572
N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-4-methylbenzenesulfonamide
CID 15990108

Frequently Asked Questions

What is the IUPAC name of N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide (CID 50796604) is N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide is Cc1cc2c(cc1NS(=O)(=O)c1ccc3c(c1)CCC3)n(C)c(=O)n2C.
What is the InChIKey of N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is QDNLZEURBSSCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-12-9-17-18(22(3)19(23)21(17)2)11-16(12)20-26(24,25)15-8-7-13-5-4-6-14(13)10-15/h7-11,20H,4-6H2,1-3H3.
What are the key properties of N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide?
N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 371.46 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 50796604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).