5-chloro-2-methoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-4-(tetrazol-1-yl)benzamide

C20H23ClN6O4S — CID 55773010

IUPAC5-chloro-2-methoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-4-(tetrazol-1-yl)benzamide
SMILESCOc1cc(-n2cnnn2)c(Cl)cc1C(=O)NCc1ccccc1CS(=O)(=O)NC(C)C
InChIInChI=1S/C20H23ClN6O4S/c1-13(2)24-32(29,30)11-15-7-5-4-6-14(15)10-22-20(28)16-8-17(21)18(9-19(16)31-3)27-12-23-25-26-27/h4-9,12-13,24H,10-11H2,1-3H3,(H,22,28)
InChIKeyAHYITJYRPAJBEW-UHFFFAOYSA-N
MW478.96 g/mol
LogP2.08
Rot. Bonds9

About 5-chloro-2-methoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-4-(tetrazol-1-yl)benzamide

5-chloro-2-methoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-4-(tetrazol-1-yl)benzamide (PubChem CID 55773010) has the molecular formula C20H23ClN6O4S and a molecular weight of 478.96 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-4-(tetrazol-1-yl)benzamide
PubChem CID55773010
Molecular FormulaC20H23ClN6O4S
Molecular Weight478.96 g/mol
Exact Mass478.12
IUPAC Name5-chloro-2-methoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-4-(tetrazol-1-yl)benzamide
SMILESCOc1cc(-n2cnnn2)c(Cl)cc1C(=O)NCc1ccccc1CS(=O)(=O)NC(C)C
InChIInChI=1S/C20H23ClN6O4S/c1-13(2)24-32(29,30)11-15-7-5-4-6-14(15)10-22-20(28)16-8-17(21)18(9-19(16)31-3)27-12-23-25-26-27/h4-9,12-13,24H,10-11H2,1-3H3,(H,22,28)
InChIKeyAHYITJYRPAJBEW-UHFFFAOYSA-N
XLogP2.08
TPSA128.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.96
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-chloro-N-[[2-(methanesulfonamido)phenyl]methyl]-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 55776331
2-methoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 18121295
N-[(4-bromo-3-fluorophenyl)methyl]-5-chloro-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 86868037
5-chloro-2-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-(tetrazol-1-yl)benzamide
CID 55789527
N-[2-(1-benzothiophen-3-yl)ethyl]-5-chloro-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 87005767
5-chloro-2-methoxy-4-(tetrazol-1-yl)-N-(2-thiophen-2-ylethyl)benzamide
CID 87000680
5-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 87002077
5-chloro-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 55892914
5-chloro-2-methoxy-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-4-(tetrazol-1-yl)benzamide
CID 55850404
5-chloro-N-(4-chlorophenyl)-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 87000459
2,6-dichloro-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 112803909
5-chloro-2-methoxy-N-(1-piperidin-1-ylpropan-2-yl)-4-(tetrazol-1-yl)benzamide
CID 60508392

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-4-(tetrazol-1-yl)benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-4-(tetrazol-1-yl)benzamide (CID 55773010) is 5-chloro-2-methoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-4-(tetrazol-1-yl)benzamide is COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NCc1ccccc1CS(=O)(=O)NC(C)C.
What is the InChIKey of 5-chloro-2-methoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-4-(tetrazol-1-yl)benzamide?
The InChIKey is AHYITJYRPAJBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN6O4S/c1-13(2)24-32(29,30)11-15-7-5-4-6-14(15)10-22-20(28)16-8-17(21)18(9-19(16)31-3)27-12-23-25-26-27/h4-9,12-13,24H,10-11H2,1-3H3,(H,22,28).
What are the key properties of 5-chloro-2-methoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-4-(tetrazol-1-yl)benzamide?
5-chloro-2-methoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-4-(tetrazol-1-yl)benzamide has a molecular weight of 478.96 g/mol, XLogP of 2.08, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 55773010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).