N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]naphthalene-1-sulfonamide

C23H17N3O4S — CID 46228511

IUPACN-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]naphthalene-1-sulfonamide
SMILESO=c1[nH]c2cccc(Oc3cccc(NS(=O)(=O)c4cccc5ccccc45)c3)c2[nH]1
InChIInChI=1S/C23H17N3O4S/c27-23-24-19-11-5-12-20(22(19)25-23)30-17-9-4-8-16(14-17)26-31(28,29)21-13-3-7-15-6-1-2-10-18(15)21/h1-14,26H,(H2,24,25,27)
InChIKeyHOWWYOGTDZIOQM-UHFFFAOYSA-N
MW431.47 g/mol
LogP4.60
Rot. Bonds5

About N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]naphthalene-1-sulfonamide

N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]naphthalene-1-sulfonamide (PubChem CID 46228511) has the molecular formula C23H17N3O4S and a molecular weight of 431.47 g/mol. Its IUPAC name is N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]naphthalene-1-sulfonamide
PubChem CID46228511
Molecular FormulaC23H17N3O4S
Molecular Weight431.47 g/mol
Exact Mass431.09
IUPAC NameN-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]naphthalene-1-sulfonamide
SMILESO=c1[nH]c2cccc(Oc3cccc(NS(=O)(=O)c4cccc5ccccc45)c3)c2[nH]1
InChIInChI=1S/C23H17N3O4S/c27-23-24-19-11-5-12-20(22(19)25-23)30-17-9-4-8-16(14-17)26-31(28,29)21-13-3-7-15-6-1-2-10-18(15)21/h1-14,26H,(H2,24,25,27)
InChIKeyHOWWYOGTDZIOQM-UHFFFAOYSA-N
XLogP4.60
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 46228525
N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 46228819
N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 46228821
N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzenesulfonamide
CID 46228854
N-[4-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzenesulfonamide
CID 46228855
N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-2-methylbenzenesulfonamide
CID 127029368
N-(1,3-Dimethyl-2-oxo-6-phenoxy-2,3-dihydro-1H-1,3-benzodiazol-5-YL)-3,4-dimethylbenzene-1-sulfonamide
CID 50796763
N-[3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 70696922
N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 127029370
N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 46228524
N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-phenylmethanesulfonamide
CID 46228552
N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-2-phenylethanesulfonamide
CID 46228553

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]naphthalene-1-sulfonamide (CID 46228511) is N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]naphthalene-1-sulfonamide is O=c1[nH]c2cccc(Oc3cccc(NS(=O)(=O)c4cccc5ccccc45)c3)c2[nH]1.
What is the InChIKey of N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]naphthalene-1-sulfonamide?
The InChIKey is HOWWYOGTDZIOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O4S/c27-23-24-19-11-5-12-20(22(19)25-23)30-17-9-4-8-16(14-17)26-31(28,29)21-13-3-7-15-6-1-2-10-18(15)21/h1-14,26H,(H2,24,25,27).
What are the key properties of N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]naphthalene-1-sulfonamide?
N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]naphthalene-1-sulfonamide has a molecular weight of 431.47 g/mol, XLogP of 4.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 46228511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).