N-(2-methyl-3H-benzimidazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide

C17H17N3O2S — CID 110724306

IUPACN-(2-methyl-3H-benzimidazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCc1nc2ccc(NS(=O)(=O)c3ccc4c(c3)CCC4)cc2[nH]1
InChIInChI=1S/C17H17N3O2S/c1-11-18-16-8-6-14(10-17(16)19-11)20-23(21,22)15-7-5-12-3-2-4-13(12)9-15/h5-10,20H,2-4H2,1H3,(H,18,19)
InChIKeyNZKYEMNTMPJHEK-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.16
Rot. Bonds3

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

N-(2-methyl-3H-benzimidazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 110724306) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-(2-methyl-3H-benzimidazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-(2-methyl-3H-benzimidazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID110724306
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-(2-methyl-3H-benzimidazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCc1nc2ccc(NS(=O)(=O)c3ccc4c(c3)CCC4)cc2[nH]1
InChIInChI=1S/C17H17N3O2S/c1-11-18-16-8-6-14(10-17(16)19-11)20-23(21,22)15-7-5-12-3-2-4-13(12)9-15/h5-10,20H,2-4H2,1H3,(H,18,19)
InChIKeyNZKYEMNTMPJHEK-UHFFFAOYSA-N
XLogP3.16
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 110724276
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2-chloro-N-(2-methyl-3H-benzimidazol-5-yl)pyrimidine-5-sulfonamide
CID 61053137
N-(2-methyl-3H-benzimidazol-5-yl)-1H-pyrazole-4-sulfonamide
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N-(2-methyl-1,3-benzoxazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110729058
N-(4-cyanophenyl)-2-methyl-3H-benzimidazole-5-sulfonamide
CID 110760223
N-(2-methyl-3H-benzimidazol-5-yl)ethanesulfonamide
CID 64584356
2,3-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide
CID 142887451
2-bromo-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide
CID 61215553
4-methyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide
CID 1119769
1-bromo-N-(2-methyl-3H-benzimidazol-5-yl)methanesulfonamide
CID 83084672
4-methyl-N-(2-methyl-3H-benzimidazol-5-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 61274456

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3H-benzimidazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-(2-methyl-3H-benzimidazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide (CID 110724306) is N-(2-methyl-3H-benzimidazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-(2-methyl-3H-benzimidazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-(2-methyl-3H-benzimidazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide is Cc1nc2ccc(NS(=O)(=O)c3ccc4c(c3)CCC4)cc2[nH]1.
What is the InChIKey of N-(2-methyl-3H-benzimidazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is NZKYEMNTMPJHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-11-18-16-8-6-14(10-17(16)19-11)20-23(21,22)15-7-5-12-3-2-4-13(12)9-15/h5-10,20H,2-4H2,1H3,(H,18,19).
What are the key properties of N-(2-methyl-3H-benzimidazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide?
N-(2-methyl-3H-benzimidazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 327.41 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3H-benzimidazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 110724306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).