N-[6-(4-fluorophenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2,3-dihydro-1H-indene-5-sulfonamide

C24H22FN3O3S2 — CID 50772861

IUPACN-[6-(4-fluorophenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCn1c(=O)n(C)c2cc(Sc3ccc(F)cc3)c(NS(=O)(=O)c3ccc4c(c3)CCC4)cc21
InChIInChI=1S/C24H22FN3O3S2/c1-27-21-13-20(26-33(30,31)19-11-6-15-4-3-5-16(15)12-19)23(14-22(21)28(2)24(27)29)32-18-9-7-17(25)8-10-18/h6-14,26H,3-5H2,1-2H3
InChIKeyPEWDDAOVBPNHFO-UHFFFAOYSA-N
MW483.59 g/mol
LogP4.46
Rot. Bonds5

About N-[6-(4-fluorophenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2,3-dihydro-1H-indene-5-sulfonamide

N-[6-(4-fluorophenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 50772861) has the molecular formula C24H22FN3O3S2 and a molecular weight of 483.59 g/mol. Its IUPAC name is N-[6-(4-fluorophenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-[6-(4-fluorophenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID50772861
Molecular FormulaC24H22FN3O3S2
Molecular Weight483.59 g/mol
Exact Mass483.11
IUPAC NameN-[6-(4-fluorophenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCn1c(=O)n(C)c2cc(Sc3ccc(F)cc3)c(NS(=O)(=O)c3ccc4c(c3)CCC4)cc21
InChIInChI=1S/C24H22FN3O3S2/c1-27-21-13-20(26-33(30,31)19-11-6-15-4-3-5-16(15)12-19)23(14-22(21)28(2)24(27)29)32-18-9-7-17(25)8-10-18/h6-14,26H,3-5H2,1-2H3
InChIKeyPEWDDAOVBPNHFO-UHFFFAOYSA-N
XLogP4.46
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-5,6,7,8-tetrahydro-2-naphthalenesulfonamide
CID 2972356
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 49190466
N-[6-(Cyclohexylsulfanyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-YL]-4-fluoro-3-methylbenzene-1-sulfonamide
CID 35397657
N-{1,3-Dimethyl-6-[(4-methylphenyl)sulfanyl]-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-YL}-4-fluorobenzene-1-sulfonamide
CID 50772644
4-Cyano-N-{6-[(4-fluorophenyl)sulfanyl]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-YL}benzene-1-sulfonamide
CID 50772581
3-Cyano-N-{6-[(4-fluorophenyl)sulfanyl]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-YL}benzene-1-sulfonamide
CID 50772597
N-{6-[(4-Fluorophenyl)sulfanyl]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-YL}-4-(2-methylpropyl)benzene-1-sulfonamide
CID 50772620
N-{6-[(4-Fluorophenyl)sulfanyl]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-YL}benzenesulfonamide
CID 50772621
4-Ethyl-N-{6-[(4-fluorophenyl)sulfanyl]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-YL}benzene-1-sulfonamide
CID 50772645
N-{6-[(4-Fluorophenyl)sulfanyl]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-YL}-4-(propan-2-YL)benzene-1-sulfonamide
CID 50772646
N-{6-[(4-Fluorophenyl)sulfanyl]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-YL}-2,3,5-trimethylbenzene-1-sulfonamide
CID 50772697
3-Fluoro-N-{6-[(4-fluorophenyl)sulfanyl]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-YL}-4-methylbenzene-1-sulfonamide
CID 50772699

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluorophenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-[6-(4-fluorophenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2,3-dihydro-1H-indene-5-sulfonamide (CID 50772861) is N-[6-(4-fluorophenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-[6-(4-fluorophenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-[6-(4-fluorophenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2,3-dihydro-1H-indene-5-sulfonamide is Cn1c(=O)n(C)c2cc(Sc3ccc(F)cc3)c(NS(=O)(=O)c3ccc4c(c3)CCC4)cc21.
What is the InChIKey of N-[6-(4-fluorophenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is PEWDDAOVBPNHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O3S2/c1-27-21-13-20(26-33(30,31)19-11-6-15-4-3-5-16(15)12-19)23(14-22(21)28(2)24(27)29)32-18-9-7-17(25)8-10-18/h6-14,26H,3-5H2,1-2H3.
What are the key properties of N-[6-(4-fluorophenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2,3-dihydro-1H-indene-5-sulfonamide?
N-[6-(4-fluorophenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 483.59 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluorophenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 50772861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).