2,3-dichloro-N-(6-methoxy-2-oxo-1-propyl-3H-benzimidazol-5-yl)benzenesulfonamide

C17H17Cl2N3O4S — CID 118706825

IUPAC2,3-dichloro-N-(6-methoxy-2-oxo-1-propyl-3H-benzimidazol-5-yl)benzenesulfonamide
SMILESCCCn1c(=O)[nH]c2cc(NS(=O)(=O)c3cccc(Cl)c3Cl)c(OC)cc21
InChIInChI=1S/C17H17Cl2N3O4S/c1-3-7-22-13-9-14(26-2)12(8-11(13)20-17(22)23)21-27(24,25)15-6-4-5-10(18)16(15)19/h4-6,8-9,21H,3,7H2,1-2H3,(H,20,23)
InChIKeyQNHDRILHIGVZDC-UHFFFAOYSA-N
MW430.31 g/mol
LogP3.86
Rot. Bonds6

About 2,3-dichloro-N-(6-methoxy-2-oxo-1-propyl-3H-benzimidazol-5-yl)benzenesulfonamide

2,3-dichloro-N-(6-methoxy-2-oxo-1-propyl-3H-benzimidazol-5-yl)benzenesulfonamide (PubChem CID 118706825) has the molecular formula C17H17Cl2N3O4S and a molecular weight of 430.31 g/mol. Its IUPAC name is 2,3-dichloro-N-(6-methoxy-2-oxo-1-propyl-3H-benzimidazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-N-(6-methoxy-2-oxo-1-propyl-3H-benzimidazol-5-yl)benzenesulfonamide
PubChem CID118706825
Molecular FormulaC17H17Cl2N3O4S
Molecular Weight430.31 g/mol
Exact Mass429.03
IUPAC Name2,3-dichloro-N-(6-methoxy-2-oxo-1-propyl-3H-benzimidazol-5-yl)benzenesulfonamide
SMILESCCCn1c(=O)[nH]c2cc(NS(=O)(=O)c3cccc(Cl)c3Cl)c(OC)cc21
InChIInChI=1S/C17H17Cl2N3O4S/c1-3-7-22-13-9-14(26-2)12(8-11(13)20-17(22)23)21-27(24,25)15-6-4-5-10(18)16(15)19/h4-6,8-9,21H,3,7H2,1-2H3,(H,20,23)
InChIKeyQNHDRILHIGVZDC-UHFFFAOYSA-N
XLogP3.86
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.31
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)benzenesulfonamide
CID 50796734
N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-4-methoxybenzenesulfonamide
CID 50796790
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-(azetidin-3-yl)-6-methoxy-2-oxo-3H-benzimidazol-5-yl]-2,3-dichlorobenzenesulfonamide
CID 118706828
N-[1-(1-acetylazetidin-3-yl)-6-methoxy-2-oxo-3H-benzimidazol-5-yl]-2,3-dichlorobenzenesulfonamide
CID 118706829
N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3-methoxybenzenesulfonamide
CID 127029369
2,3-dichloro-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide
CID 118706820
2,3-dichloro-N-[1-[2-(dimethylamino)ethyl]-6-methoxy-2-oxo-3H-benzimidazol-5-yl]benzenesulfonamide
CID 118706826

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(6-methoxy-2-oxo-1-propyl-3H-benzimidazol-5-yl)benzenesulfonamide?
The IUPAC name of 2,3-dichloro-N-(6-methoxy-2-oxo-1-propyl-3H-benzimidazol-5-yl)benzenesulfonamide (CID 118706825) is 2,3-dichloro-N-(6-methoxy-2-oxo-1-propyl-3H-benzimidazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-N-(6-methoxy-2-oxo-1-propyl-3H-benzimidazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2,3-dichloro-N-(6-methoxy-2-oxo-1-propyl-3H-benzimidazol-5-yl)benzenesulfonamide is CCCn1c(=O)[nH]c2cc(NS(=O)(=O)c3cccc(Cl)c3Cl)c(OC)cc21.
What is the InChIKey of 2,3-dichloro-N-(6-methoxy-2-oxo-1-propyl-3H-benzimidazol-5-yl)benzenesulfonamide?
The InChIKey is QNHDRILHIGVZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O4S/c1-3-7-22-13-9-14(26-2)12(8-11(13)20-17(22)23)21-27(24,25)15-6-4-5-10(18)16(15)19/h4-6,8-9,21H,3,7H2,1-2H3,(H,20,23).
What are the key properties of 2,3-dichloro-N-(6-methoxy-2-oxo-1-propyl-3H-benzimidazol-5-yl)benzenesulfonamide?
2,3-dichloro-N-(6-methoxy-2-oxo-1-propyl-3H-benzimidazol-5-yl)benzenesulfonamide has a molecular weight of 430.31 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-(6-methoxy-2-oxo-1-propyl-3H-benzimidazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 118706825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).