N-(1H-benzimidazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide

C18H18N4O4S — CID 2311717

IUPACN-(1H-benzimidazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1nc2ccccc2[nH]1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H18N4O4S/c23-17(21-18-19-15-3-1-2-4-16(15)20-18)13-5-7-14(8-6-13)27(24,25)22-9-11-26-12-10-22/h1-8H,9-12H2,(H2,19,20,21,23)
InChIKeyIAGZCXFOTRAKOV-UHFFFAOYSA-N
MW386.43 g/mol
LogP1.84
Rot. Bonds4

About N-(1H-benzimidazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide

N-(1H-benzimidazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 2311717) has the molecular formula C18H18N4O4S and a molecular weight of 386.43 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide
PubChem CID2311717
Molecular FormulaC18H18N4O4S
Molecular Weight386.43 g/mol
Exact Mass386.10
IUPAC NameN-(1H-benzimidazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1nc2ccccc2[nH]1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H18N4O4S/c23-17(21-18-19-15-3-1-2-4-16(15)20-18)13-5-7-14(8-6-13)27(24,25)22-9-11-26-12-10-22/h1-8H,9-12H2,(H2,19,20,21,23)
InChIKeyIAGZCXFOTRAKOV-UHFFFAOYSA-N
XLogP1.84
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide (CID 2311717) is N-(1H-benzimidazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide is O=C(Nc1nc2ccccc2[nH]1)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is IAGZCXFOTRAKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S/c23-17(21-18-19-15-3-1-2-4-16(15)20-18)13-5-7-14(8-6-13)27(24,25)22-9-11-26-12-10-22/h1-8H,9-12H2,(H2,19,20,21,23).
What are the key properties of N-(1H-benzimidazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide?
N-(1H-benzimidazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 386.43 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 2311717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).