N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C19H21N3O3S — CID 2972356

IUPACN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCn1c(=O)n(C)c2cc(NS(=O)(=O)c3ccc4c(c3)CCCC4)ccc21
InChIInChI=1S/C19H21N3O3S/c1-21-17-10-8-15(12-18(17)22(2)19(21)23)20-26(24,25)16-9-7-13-5-3-4-6-14(13)11-16/h7-12,20H,3-6H2,1-2H3
InChIKeyYICIKZOAJUXQMK-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.56
Rot. Bonds3

About N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 2972356) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID2972356
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCn1c(=O)n(C)c2cc(NS(=O)(=O)c3ccc4c(c3)CCCC4)ccc21
InChIInChI=1S/C19H21N3O3S/c1-21-17-10-8-15(12-18(17)22(2)19(21)23)20-26(24,25)16-9-7-13-5-3-4-6-14(13)11-16/h7-12,20H,3-6H2,1-2H3
InChIKeyYICIKZOAJUXQMK-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2,4-dimethylbenzenesulfonamide
CID 1253361
N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzenesulfonamide
CID 2979626
2,4,6-trimethyl-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)benzenesulfonamide
CID 3480396
2,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
CID 7997824
1-Naphthalen-2-ylsulfonyl-3-(1,2,3,6-tetrahydropyridin-4-yl)benzimidazol-2-one
CID 11350253
4-Ethyl-N-(1,3,6-trimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-YL)benzene-1-sulfonamide
CID 20962015
4-tert-butyl-N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)benzenesulfonamide
CID 1251510
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methylbenzenesulfonamide
CID 2972934
N-(1,3-dimethyl-2-oxo-5-benzimidazolyl)-4-fluoro-3-methylbenzenesulfonamide
CID 3918464
N-[6-(Benzylamino)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-YL]-4-fluorobenzene-1-sulfonamide
CID 15990286
N-[6-(Benzylamino)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-YL]-4-(propan-2-YL)benzene-1-sulfonamide
CID 15990426
N-[6-(Benzylamino)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-YL]benzenesulfonamide
CID 16026762

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 2972356) is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is Cn1c(=O)n(C)c2cc(NS(=O)(=O)c3ccc4c(c3)CCCC4)ccc21.
What is the InChIKey of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is YICIKZOAJUXQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-21-17-10-8-15(12-18(17)22(2)19(21)23)20-26(24,25)16-9-7-13-5-3-4-6-14(13)11-16/h7-12,20H,3-6H2,1-2H3.
What are the key properties of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 371.46 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 2972356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).