4-(1H-benzimidazol-2-yl)-N,N-diethylbenzenesulfonamide

C17H19N3O2S — CID 101078161

IUPAC4-(1H-benzimidazol-2-yl)-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C17H19N3O2S/c1-3-20(4-2)23(21,22)14-11-9-13(10-12-14)17-18-15-7-5-6-8-16(15)19-17/h5-12H,3-4H2,1-2H3,(H,18,19)
InChIKeyMPCRHBKDAPXMLC-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.26
Rot. Bonds5

About 4-(1H-benzimidazol-2-yl)-N,N-diethylbenzenesulfonamide

4-(1H-benzimidazol-2-yl)-N,N-diethylbenzenesulfonamide (PubChem CID 101078161) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-N,N-diethylbenzenesulfonamide.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-N,N-diethylbenzenesulfonamide
PubChem CID101078161
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name4-(1H-benzimidazol-2-yl)-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C17H19N3O2S/c1-3-20(4-2)23(21,22)14-11-9-13(10-12-14)17-18-15-7-5-6-8-16(15)19-17/h5-12H,3-4H2,1-2H3,(H,18,19)
InChIKeyMPCRHBKDAPXMLC-UHFFFAOYSA-N
XLogP3.26
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-N,N-dipropyl-3H-benzimidazole-5-sulfonamide
CID 15995775
4-[(2R)-2-(1H-benzimidazol-2-yl)-2-cyanoacetyl]-N,N-diethylbenzenesulfonamide
CID 2331571
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
2-[4-(1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid;ethane;2-[4-(6-sulfo-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid
CID 145332196
N-(1H-benzimidazol-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 27649678
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(diethylsulfamoyl)benzamide
CID 21008890
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(diethylsulfamoyl)benzamide
CID 167924073
4-(1,3-benzothiazol-2-yl)-N,N-diethylbenzenesulfonamide
CID 3582989
2-(4-piperidin-1-ylsulfonylphenyl)-1H-benzimidazole
CID 101077984
N,N-bis(2-cyanoethyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 3728615
3-N-(1H-benzimidazol-2-yl)-4-chloro-1-N,1-N-diethylbenzene-1,3-disulfonamide
CID 75433916
2-[4-[3,5-bis[4-(1H-benzimidazol-2-yl)phenyl]phenyl]phenyl]-1H-benzimidazole
CID 102200427

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-N,N-diethylbenzenesulfonamide?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-N,N-diethylbenzenesulfonamide (CID 101078161) is 4-(1H-benzimidazol-2-yl)-N,N-diethylbenzenesulfonamide.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-N,N-diethylbenzenesulfonamide?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-N,N-diethylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-N,N-diethylbenzenesulfonamide?
The InChIKey is MPCRHBKDAPXMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-3-20(4-2)23(21,22)14-11-9-13(10-12-14)17-18-15-7-5-6-8-16(15)19-17/h5-12H,3-4H2,1-2H3,(H,18,19).
What are the key properties of 4-(1H-benzimidazol-2-yl)-N,N-diethylbenzenesulfonamide?
4-(1H-benzimidazol-2-yl)-N,N-diethylbenzenesulfonamide has a molecular weight of 329.43 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-N,N-diethylbenzenesulfonamide is sourced from PubChem (CID 101078161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).