5-chloro-2-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-(tetrazol-1-yl)benzamide

C20H21ClN6O5S — CID 55789527

IUPAC5-chloro-2-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-(tetrazol-1-yl)benzamide
SMILESCOc1cc(-n2cnnn2)c(Cl)cc1C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H21ClN6O5S/c1-31-19-11-18(27-13-23-24-25-27)17(21)10-16(19)20(28)22-12-14-2-4-15(5-3-14)33(29,30)26-6-8-32-9-7-26/h2-5,10-11,13H,6-9,12H2,1H3,(H,22,28)
InChIKeyAIPYSSJFPLSNNR-UHFFFAOYSA-N
MW492.95 g/mol
LogP1.28
Rot. Bonds7

About 5-chloro-2-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-(tetrazol-1-yl)benzamide

5-chloro-2-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-(tetrazol-1-yl)benzamide (PubChem CID 55789527) has the molecular formula C20H21ClN6O5S and a molecular weight of 492.95 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-(tetrazol-1-yl)benzamide
PubChem CID55789527
Molecular FormulaC20H21ClN6O5S
Molecular Weight492.95 g/mol
Exact Mass492.10
IUPAC Name5-chloro-2-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-(tetrazol-1-yl)benzamide
SMILESCOc1cc(-n2cnnn2)c(Cl)cc1C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H21ClN6O5S/c1-31-19-11-18(27-13-23-24-25-27)17(21)10-16(19)20(28)22-12-14-2-4-15(5-3-14)33(29,30)26-6-8-32-9-7-26/h2-5,10-11,13H,6-9,12H2,1H3,(H,22,28)
InChIKeyAIPYSSJFPLSNNR-UHFFFAOYSA-N
XLogP1.28
TPSA128.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.95
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[(4-methoxyphenyl)methyl]-4-morpholin-4-ylsulfonylbenzamide
CID 2429764
2,6-dichloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyridine-4-carboxamide
CID 26662569
3-(dimethylsulfamoyl)-4-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 27861838
5-bromo-2-chloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 30505497
N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 2478492
2-chloro-5-morpholin-4-ylsulfonyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 55798204
(2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 94861716
2-chloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]quinoline-6-carboxamide
CID 55825308
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 9406618
N-[2-(4-fluorophenyl)ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 9402832
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide
CID 3195562
4-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-(2-phenylethylsulfamoyl)benzamide
CID 43875221

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-(tetrazol-1-yl)benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-(tetrazol-1-yl)benzamide (CID 55789527) is 5-chloro-2-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-(tetrazol-1-yl)benzamide is COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 5-chloro-2-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-(tetrazol-1-yl)benzamide?
The InChIKey is AIPYSSJFPLSNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN6O5S/c1-31-19-11-18(27-13-23-24-25-27)17(21)10-16(19)20(28)22-12-14-2-4-15(5-3-14)33(29,30)26-6-8-32-9-7-26/h2-5,10-11,13H,6-9,12H2,1H3,(H,22,28).
What are the key properties of 5-chloro-2-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-(tetrazol-1-yl)benzamide?
5-chloro-2-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-(tetrazol-1-yl)benzamide has a molecular weight of 492.95 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 55789527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).