N-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloro-5-morpholin-4-ylsulfonylbenzamide

C20H21ClN4O4S — CID 21008889

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloro-5-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NCCc1nc2ccccc2[nH]1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C20H21ClN4O4S/c21-16-6-5-14(30(27,28)25-9-11-29-12-10-25)13-15(16)20(26)22-8-7-19-23-17-3-1-2-4-18(17)24-19/h1-6,13H,7-12H2,(H,22,26)(H,23,24)
InChIKeyVDRZCCKZRAIZEG-UHFFFAOYSA-N
MW448.93 g/mol
LogP2.21
Rot. Bonds6

About N-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloro-5-morpholin-4-ylsulfonylbenzamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloro-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 21008889) has the molecular formula C20H21ClN4O4S and a molecular weight of 448.93 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloro-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloro-5-morpholin-4-ylsulfonylbenzamide
PubChem CID21008889
Molecular FormulaC20H21ClN4O4S
Molecular Weight448.93 g/mol
Exact Mass448.10
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloro-5-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NCCc1nc2ccccc2[nH]1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C20H21ClN4O4S/c21-16-6-5-14(30(27,28)25-9-11-29-12-10-25)13-15(16)20(26)22-8-7-19-23-17-3-1-2-4-18(17)24-19/h1-6,13H,7-12H2,(H,22,26)(H,23,24)
InChIKeyVDRZCCKZRAIZEG-UHFFFAOYSA-N
XLogP2.21
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.93
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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2-chloro-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide
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N-[2-(1H-benzimidazol-2-yl)ethyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
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N-[2-(butylcarbamoyl)phenyl]-2-chloro-5-morpholin-4-ylsulfonylbenzamide
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N-[2-(1H-benzimidazol-2-yl)ethyl]-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
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2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide
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2-chloro-N-(furan-2-ylmethyl)-5-morpholin-4-ylsulfonylbenzamide
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N-(1H-benzimidazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 2583657
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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloro-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloro-5-morpholin-4-ylsulfonylbenzamide (CID 21008889) is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloro-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloro-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloro-5-morpholin-4-ylsulfonylbenzamide is O=C(NCCc1nc2ccccc2[nH]1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloro-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is VDRZCCKZRAIZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O4S/c21-16-6-5-14(30(27,28)25-9-11-29-12-10-25)13-15(16)20(26)22-8-7-19-23-17-3-1-2-4-18(17)24-19/h1-6,13H,7-12H2,(H,22,26)(H,23,24).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloro-5-morpholin-4-ylsulfonylbenzamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloro-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 448.93 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloro-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 21008889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).