N-[1-(azetidin-3-yl)-6-methoxy-2-oxo-3H-benzimidazol-5-yl]-2,3-dichlorobenzenesulfonamide

C17H16Cl2N4O4S — CID 118706828

IUPACN-[1-(azetidin-3-yl)-6-methoxy-2-oxo-3H-benzimidazol-5-yl]-2,3-dichlorobenzenesulfonamide
SMILESCOc1cc2c(cc1NS(=O)(=O)c1cccc(Cl)c1Cl)[nH]c(=O)n2C1CNC1
InChIInChI=1S/C17H16Cl2N4O4S/c1-27-14-6-13-11(21-17(24)23(13)9-7-20-8-9)5-12(14)22-28(25,26)15-4-2-3-10(18)16(15)19/h2-6,9,20,22H,7-8H2,1H3,(H,21,24)
InChIKeyVHZJKZRRBVRIEZ-UHFFFAOYSA-N
MW443.31 g/mol
LogP2.59
Rot. Bonds5

About N-[1-(azetidin-3-yl)-6-methoxy-2-oxo-3H-benzimidazol-5-yl]-2,3-dichlorobenzenesulfonamide

N-[1-(azetidin-3-yl)-6-methoxy-2-oxo-3H-benzimidazol-5-yl]-2,3-dichlorobenzenesulfonamide (PubChem CID 118706828) has the molecular formula C17H16Cl2N4O4S and a molecular weight of 443.31 g/mol. Its IUPAC name is N-[1-(azetidin-3-yl)-6-methoxy-2-oxo-3H-benzimidazol-5-yl]-2,3-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(azetidin-3-yl)-6-methoxy-2-oxo-3H-benzimidazol-5-yl]-2,3-dichlorobenzenesulfonamide
PubChem CID118706828
Molecular FormulaC17H16Cl2N4O4S
Molecular Weight443.31 g/mol
Exact Mass442.03
IUPAC NameN-[1-(azetidin-3-yl)-6-methoxy-2-oxo-3H-benzimidazol-5-yl]-2,3-dichlorobenzenesulfonamide
SMILESCOc1cc2c(cc1NS(=O)(=O)c1cccc(Cl)c1Cl)[nH]c(=O)n2C1CNC1
InChIInChI=1S/C17H16Cl2N4O4S/c1-27-14-6-13-11(21-17(24)23(13)9-7-20-8-9)5-12(14)22-28(25,26)15-4-2-3-10(18)16(15)19/h2-6,9,20,22H,7-8H2,1H3,(H,21,24)
InChIKeyVHZJKZRRBVRIEZ-UHFFFAOYSA-N
XLogP2.59
TPSA105.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.31
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)benzenesulfonamide
CID 50796734
2,3-dichloro-N-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
CID 118706817
2,3-dichloro-N-(6-methoxy-1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide
CID 118706818
2-[5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxy-2-oxo-3H-benzimidazol-1-yl]acetamide
CID 118706821
2,3-dichloro-N-(6-methoxy-2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)benzenesulfonamide
CID 118706823
2,3-dichloro-N-[6-methoxy-1-(oxetan-3-yl)-2-oxo-3H-benzimidazol-5-yl]benzenesulfonamide
CID 118706824
N-[1-(1-acetylazetidin-3-yl)-6-methoxy-2-oxo-3H-benzimidazol-5-yl]-2,3-dichlorobenzenesulfonamide
CID 118706829
2,3-dichloro-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide
CID 118706820
2,3-dichloro-N-(6-methoxy-2-oxo-1-propyl-3H-benzimidazol-5-yl)benzenesulfonamide
CID 118706825
2,3-dichloro-N-[1-[2-(dimethylamino)ethyl]-6-methoxy-2-oxo-3H-benzimidazol-5-yl]benzenesulfonamide
CID 118706826
2,3-dichloro-N-[1-(1,3-dihydroxypropan-2-yl)-6-methoxy-2-oxo-3H-benzimidazol-5-yl]benzenesulfonamide
CID 118706827
2,3-dichloro-N-(6-methoxy-3-methyl-2-oxo-1H-benzimidazol-5-yl)benzenesulfonamide
CID 118706819

Frequently Asked Questions

What is the IUPAC name of N-[1-(azetidin-3-yl)-6-methoxy-2-oxo-3H-benzimidazol-5-yl]-2,3-dichlorobenzenesulfonamide?
The IUPAC name of N-[1-(azetidin-3-yl)-6-methoxy-2-oxo-3H-benzimidazol-5-yl]-2,3-dichlorobenzenesulfonamide (CID 118706828) is N-[1-(azetidin-3-yl)-6-methoxy-2-oxo-3H-benzimidazol-5-yl]-2,3-dichlorobenzenesulfonamide.
What is the SMILES notation for N-[1-(azetidin-3-yl)-6-methoxy-2-oxo-3H-benzimidazol-5-yl]-2,3-dichlorobenzenesulfonamide?
The canonical SMILES for N-[1-(azetidin-3-yl)-6-methoxy-2-oxo-3H-benzimidazol-5-yl]-2,3-dichlorobenzenesulfonamide is COc1cc2c(cc1NS(=O)(=O)c1cccc(Cl)c1Cl)[nH]c(=O)n2C1CNC1.
What is the InChIKey of N-[1-(azetidin-3-yl)-6-methoxy-2-oxo-3H-benzimidazol-5-yl]-2,3-dichlorobenzenesulfonamide?
The InChIKey is VHZJKZRRBVRIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4O4S/c1-27-14-6-13-11(21-17(24)23(13)9-7-20-8-9)5-12(14)22-28(25,26)15-4-2-3-10(18)16(15)19/h2-6,9,20,22H,7-8H2,1H3,(H,21,24).
What are the key properties of N-[1-(azetidin-3-yl)-6-methoxy-2-oxo-3H-benzimidazol-5-yl]-2,3-dichlorobenzenesulfonamide?
N-[1-(azetidin-3-yl)-6-methoxy-2-oxo-3H-benzimidazol-5-yl]-2,3-dichlorobenzenesulfonamide has a molecular weight of 443.31 g/mol, XLogP of 2.59, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(azetidin-3-yl)-6-methoxy-2-oxo-3H-benzimidazol-5-yl]-2,3-dichlorobenzenesulfonamide is sourced from PubChem (CID 118706828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).