5-chloro-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-methoxy-4-(tetrazol-1-yl)benzamide

C21H25ClN6O4S — CID 55774066

IUPAC5-chloro-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-methoxy-4-(tetrazol-1-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)c2cc(Cl)c(-n3cnnn3)cc2OC)cc1
InChIInChI=1S/C21H25ClN6O4S/c1-5-27(6-2)33(30,31)16-9-7-15(8-10-16)14(3)24-21(29)17-11-18(22)19(12-20(17)32-4)28-13-23-25-26-28/h7-14H,5-6H2,1-4H3,(H,24,29)
InChIKeyDFSKAJUTHWGXLZ-UHFFFAOYSA-N
MW492.99 g/mol
LogP2.85
Rot. Bonds9

About 5-chloro-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-methoxy-4-(tetrazol-1-yl)benzamide

5-chloro-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-methoxy-4-(tetrazol-1-yl)benzamide (PubChem CID 55774066) has the molecular formula C21H25ClN6O4S and a molecular weight of 492.99 g/mol. Its IUPAC name is 5-chloro-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-methoxy-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name5-chloro-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-methoxy-4-(tetrazol-1-yl)benzamide
PubChem CID55774066
Molecular FormulaC21H25ClN6O4S
Molecular Weight492.99 g/mol
Exact Mass492.13
IUPAC Name5-chloro-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-methoxy-4-(tetrazol-1-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)c2cc(Cl)c(-n3cnnn3)cc2OC)cc1
InChIInChI=1S/C21H25ClN6O4S/c1-5-27(6-2)33(30,31)16-9-7-15(8-10-16)14(3)24-21(29)17-11-18(22)19(12-20(17)32-4)28-13-23-25-26-28/h7-14H,5-6H2,1-4H3,(H,24,29)
InChIKeyDFSKAJUTHWGXLZ-UHFFFAOYSA-N
XLogP2.85
TPSA119.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.99
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-chloro-N-(4-chlorophenyl)-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 87000459
5-chloro-2-methoxy-N-(1-piperidin-1-ylpropan-2-yl)-4-(tetrazol-1-yl)benzamide
CID 60508392
5-chloro-4-iodo-2-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 55607362
2,3-dichloro-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]benzamide
CID 112765419
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-methoxybenzamide
CID 51151516
5-chloro-2-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-(tetrazol-1-yl)benzamide
CID 55789527
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 55454405
5-chloro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 55827929
5-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 87002077
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-iodobenzamide
CID 55339070
2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30403931
5-bromo-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]pyridine-3-carboxamide
CID 17448990

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-methoxy-4-(tetrazol-1-yl)benzamide?
The IUPAC name of 5-chloro-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-methoxy-4-(tetrazol-1-yl)benzamide (CID 55774066) is 5-chloro-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-methoxy-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 5-chloro-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-methoxy-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for 5-chloro-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-methoxy-4-(tetrazol-1-yl)benzamide is CCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)c2cc(Cl)c(-n3cnnn3)cc2OC)cc1.
What is the InChIKey of 5-chloro-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-methoxy-4-(tetrazol-1-yl)benzamide?
The InChIKey is DFSKAJUTHWGXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN6O4S/c1-5-27(6-2)33(30,31)16-9-7-15(8-10-16)14(3)24-21(29)17-11-18(22)19(12-20(17)32-4)28-13-23-25-26-28/h7-14H,5-6H2,1-4H3,(H,24,29).
What are the key properties of 5-chloro-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-methoxy-4-(tetrazol-1-yl)benzamide?
5-chloro-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-methoxy-4-(tetrazol-1-yl)benzamide has a molecular weight of 492.99 g/mol, XLogP of 2.85, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-methoxy-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 55774066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).