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

C19H18Cl2N4O5S — CID 118706829

IUPACN-[1-(1-acetylazetidin-3-yl)-6-methoxy-2-oxo-3H-benzimidazol-5-yl]-2,3-dichlorobenzenesulfonamide
SMILESCOc1cc2c(cc1NS(=O)(=O)c1cccc(Cl)c1Cl)[nH]c(=O)n2C1CN(C(C)=O)C1
InChIInChI=1S/C19H18Cl2N4O5S/c1-10(26)24-8-11(9-24)25-15-7-16(30-2)14(6-13(15)22-19(25)27)23-31(28,29)17-5-3-4-12(20)18(17)21/h3-7,11,23H,8-9H2,1-2H3,(H,22,27)
InChIKeyDTXHONUTWZTYJE-UHFFFAOYSA-N
MW485.35 g/mol
LogP2.85
Rot. Bonds5

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

N-[1-(1-acetylazetidin-3-yl)-6-methoxy-2-oxo-3H-benzimidazol-5-yl]-2,3-dichlorobenzenesulfonamide (PubChem CID 118706829) has the molecular formula C19H18Cl2N4O5S and a molecular weight of 485.35 g/mol. Its IUPAC name is N-[1-(1-acetylazetidin-3-yl)-6-methoxy-2-oxo-3H-benzimidazol-5-yl]-2,3-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(1-acetylazetidin-3-yl)-6-methoxy-2-oxo-3H-benzimidazol-5-yl]-2,3-dichlorobenzenesulfonamide
PubChem CID118706829
Molecular FormulaC19H18Cl2N4O5S
Molecular Weight485.35 g/mol
Exact Mass484.04
IUPAC NameN-[1-(1-acetylazetidin-3-yl)-6-methoxy-2-oxo-3H-benzimidazol-5-yl]-2,3-dichlorobenzenesulfonamide
SMILESCOc1cc2c(cc1NS(=O)(=O)c1cccc(Cl)c1Cl)[nH]c(=O)n2C1CN(C(C)=O)C1
InChIInChI=1S/C19H18Cl2N4O5S/c1-10(26)24-8-11(9-24)25-15-7-16(30-2)14(6-13(15)22-19(25)27)23-31(28,29)17-5-3-4-12(20)18(17)21/h3-7,11,23H,8-9H2,1-2H3,(H,22,27)
InChIKeyDTXHONUTWZTYJE-UHFFFAOYSA-N
XLogP2.85
TPSA113.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.35
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-(5-chloro-2-methoxyphenyl)benzenesulfonamide
CID 4816687
2,3-dichloro-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzenesulfonamide
CID 4319845
N-(4-amino-2-methoxyphenyl)-2-chlorobenzenesulfonamide
CID 43123342
N-(2,3-dichlorophenyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 1256564
2-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-sulfonamide
CID 24621377
2,3-dichloro-N-[6-chloro-5-(3-hydroxyazetidin-1-yl)-3-methoxypyrazin-2-yl]benzenesulfonamide
CID 10194939
methyl 1-cyclopropyl-2-oxo-3H-benzimidazole-5-carboxylate
CID 83415039
2-methoxy-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide
CID 71291563
2,5-dichloro-N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide
CID 1005068
2,3-dichloro-N-(5-chloro-2-methoxy-6-oxo-1H-pyrazin-3-yl)benzenesulfonamide
CID 10194044
5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazine-2,3-dicarboxylic acid
CID 67139114
2-chloro-N-(2-methoxyphenyl)-5-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 55347642

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-acetylazetidin-3-yl)-6-methoxy-2-oxo-3H-benzimidazol-5-yl]-2,3-dichlorobenzenesulfonamide?
The IUPAC name of N-[1-(1-acetylazetidin-3-yl)-6-methoxy-2-oxo-3H-benzimidazol-5-yl]-2,3-dichlorobenzenesulfonamide (CID 118706829) is N-[1-(1-acetylazetidin-3-yl)-6-methoxy-2-oxo-3H-benzimidazol-5-yl]-2,3-dichlorobenzenesulfonamide.
What is the SMILES notation for N-[1-(1-acetylazetidin-3-yl)-6-methoxy-2-oxo-3H-benzimidazol-5-yl]-2,3-dichlorobenzenesulfonamide?
The canonical SMILES for N-[1-(1-acetylazetidin-3-yl)-6-methoxy-2-oxo-3H-benzimidazol-5-yl]-2,3-dichlorobenzenesulfonamide is COc1cc2c(cc1NS(=O)(=O)c1cccc(Cl)c1Cl)[nH]c(=O)n2C1CN(C(C)=O)C1.
What is the InChIKey of N-[1-(1-acetylazetidin-3-yl)-6-methoxy-2-oxo-3H-benzimidazol-5-yl]-2,3-dichlorobenzenesulfonamide?
The InChIKey is DTXHONUTWZTYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4O5S/c1-10(26)24-8-11(9-24)25-15-7-16(30-2)14(6-13(15)22-19(25)27)23-31(28,29)17-5-3-4-12(20)18(17)21/h3-7,11,23H,8-9H2,1-2H3,(H,22,27).
What are the key properties of N-[1-(1-acetylazetidin-3-yl)-6-methoxy-2-oxo-3H-benzimidazol-5-yl]-2,3-dichlorobenzenesulfonamide?
N-[1-(1-acetylazetidin-3-yl)-6-methoxy-2-oxo-3H-benzimidazol-5-yl]-2,3-dichlorobenzenesulfonamide has a molecular weight of 485.35 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-acetylazetidin-3-yl)-6-methoxy-2-oxo-3H-benzimidazol-5-yl]-2,3-dichlorobenzenesulfonamide is sourced from PubChem (CID 118706829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).