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

C17H17Cl2N3O4S — CID 118706823

IUPAC2,3-dichloro-N-(6-methoxy-2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)benzenesulfonamide
SMILESCOc1cc2c(cc1NS(=O)(=O)c1cccc(Cl)c1Cl)[nH]c(=O)n2C(C)C
InChIInChI=1S/C17H17Cl2N3O4S/c1-9(2)22-13-8-14(26-3)12(7-11(13)20-17(22)23)21-27(24,25)15-6-4-5-10(18)16(15)19/h4-9,21H,1-3H3,(H,20,23)
InChIKeyWBDQWOOWNCTXGC-UHFFFAOYSA-N
MW430.31 g/mol
LogP4.03
Rot. Bonds5

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

2,3-dichloro-N-(6-methoxy-2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)benzenesulfonamide (PubChem CID 118706823) 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-propan-2-yl-3H-benzimidazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-N-(6-methoxy-2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)benzenesulfonamide
PubChem CID118706823
Molecular FormulaC17H17Cl2N3O4S
Molecular Weight430.31 g/mol
Exact Mass429.03
IUPAC Name2,3-dichloro-N-(6-methoxy-2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)benzenesulfonamide
SMILESCOc1cc2c(cc1NS(=O)(=O)c1cccc(Cl)c1Cl)[nH]c(=O)n2C(C)C
InChIInChI=1S/C17H17Cl2N3O4S/c1-9(2)22-13-8-14(26-3)12(7-11(13)20-17(22)23)21-27(24,25)15-6-4-5-10(18)16(15)19/h4-9,21H,1-3H3,(H,20,23)
InChIKeyWBDQWOOWNCTXGC-UHFFFAOYSA-N
XLogP4.03
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.31
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(6-methoxy-2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)benzenesulfonamide?
The IUPAC name of 2,3-dichloro-N-(6-methoxy-2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)benzenesulfonamide (CID 118706823) is 2,3-dichloro-N-(6-methoxy-2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-N-(6-methoxy-2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2,3-dichloro-N-(6-methoxy-2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)benzenesulfonamide is COc1cc2c(cc1NS(=O)(=O)c1cccc(Cl)c1Cl)[nH]c(=O)n2C(C)C.
What is the InChIKey of 2,3-dichloro-N-(6-methoxy-2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)benzenesulfonamide?
The InChIKey is WBDQWOOWNCTXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O4S/c1-9(2)22-13-8-14(26-3)12(7-11(13)20-17(22)23)21-27(24,25)15-6-4-5-10(18)16(15)19/h4-9,21H,1-3H3,(H,20,23).
What are the key properties of 2,3-dichloro-N-(6-methoxy-2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)benzenesulfonamide?
2,3-dichloro-N-(6-methoxy-2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)benzenesulfonamide has a molecular weight of 430.31 g/mol, XLogP of 4.03, 5 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-propan-2-yl-3H-benzimidazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 118706823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).