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

C19H20N4O4S — CID 2998889

IUPACN-(1H-benzimidazol-2-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NCc1nc2ccccc2[nH]1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H20N4O4S/c24-19(20-13-18-21-16-3-1-2-4-17(16)22-18)14-5-7-15(8-6-14)28(25,26)23-9-11-27-12-10-23/h1-8H,9-13H2,(H,20,24)(H,21,22)
InChIKeyDHWVFHMWJDFWRS-UHFFFAOYSA-N
MW400.46 g/mol
LogP1.51
Rot. Bonds5

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

N-(1H-benzimidazol-2-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 2998889) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide
PubChem CID2998889
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NCc1nc2ccccc2[nH]1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H20N4O4S/c24-19(20-13-18-21-16-3-1-2-4-17(16)22-18)14-5-7-15(8-6-14)28(25,26)23-9-11-27-12-10-23/h1-8H,9-13H2,(H,20,24)(H,21,22)
InChIKeyDHWVFHMWJDFWRS-UHFFFAOYSA-N
XLogP1.51
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 51.51
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-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide (CID 2998889) is N-(1H-benzimidazol-2-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide is O=C(NCc1nc2ccccc2[nH]1)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is DHWVFHMWJDFWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c24-19(20-13-18-21-16-3-1-2-4-17(16)22-18)14-5-7-15(8-6-14)28(25,26)23-9-11-27-12-10-23/h1-8H,9-13H2,(H,20,24)(H,21,22).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide?
N-(1H-benzimidazol-2-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 400.46 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 2998889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).