5-chloro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methoxy-4-(tetrazol-1-yl)benzamide

C17H17ClN6O5S — CID 55827929

IUPAC5-chloro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methoxy-4-(tetrazol-1-yl)benzamide
SMILESCOc1ccc(NC(=O)c2cc(Cl)c(-n3cnnn3)cc2OC)cc1NS(C)(=O)=O
InChIInChI=1S/C17H17ClN6O5S/c1-28-15-5-4-10(6-13(15)21-30(3,26)27)20-17(25)11-7-12(18)14(8-16(11)29-2)24-9-19-22-23-24/h4-9,21H,1-3H3,(H,20,25)
InChIKeyPOCPACRHKNHBHA-UHFFFAOYSA-N
MW452.88 g/mol
LogP1.96
Rot. Bonds7

About 5-chloro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methoxy-4-(tetrazol-1-yl)benzamide

5-chloro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methoxy-4-(tetrazol-1-yl)benzamide (PubChem CID 55827929) has the molecular formula C17H17ClN6O5S and a molecular weight of 452.88 g/mol. Its IUPAC name is 5-chloro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methoxy-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name5-chloro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methoxy-4-(tetrazol-1-yl)benzamide
PubChem CID55827929
Molecular FormulaC17H17ClN6O5S
Molecular Weight452.88 g/mol
Exact Mass452.07
IUPAC Name5-chloro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methoxy-4-(tetrazol-1-yl)benzamide
SMILESCOc1ccc(NC(=O)c2cc(Cl)c(-n3cnnn3)cc2OC)cc1NS(C)(=O)=O
InChIInChI=1S/C17H17ClN6O5S/c1-28-15-5-4-10(6-13(15)21-30(3,26)27)20-17(25)11-7-12(18)14(8-16(11)29-2)24-9-19-22-23-24/h4-9,21H,1-3H3,(H,20,25)
InChIKeyPOCPACRHKNHBHA-UHFFFAOYSA-N
XLogP1.96
TPSA137.33 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.88
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

5-chloro-N-(4-chlorophenyl)-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 87000459
5-chloro-N-[[2-(methanesulfonamido)phenyl]methyl]-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 55776331
5-chloro-2-methoxy-N-[3-(phenylcarbamoylamino)phenyl]-4-(tetrazol-1-yl)benzamide
CID 55776312
5-chloro-2-methoxy-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-4-(tetrazol-1-yl)benzamide
CID 55777597
4-[5-chloro-2-methoxy-4-(tetrazol-1-yl)benzoyl]-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide
CID 55970735
5-bromo-2-methoxy-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]benzamide
CID 50776873
5-chloro-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 55892914
N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylbenzamide
CID 134019085
2-chloro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-nitrobenzamide
CID 39975932
5-chloro-2-methoxy-4-(tetrazol-1-yl)-N-(2-thiophen-2-ylethyl)benzamide
CID 87000680
N-[4-methoxy-3-(tetrazol-1-yl)phenyl]acetamide
CID 44615707
4-chloro-2-methoxy-N-[2-methyl-3-(tetrazol-1-yl)phenyl]benzamide
CID 50820638

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methoxy-4-(tetrazol-1-yl)benzamide?
The IUPAC name of 5-chloro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methoxy-4-(tetrazol-1-yl)benzamide (CID 55827929) is 5-chloro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methoxy-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 5-chloro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methoxy-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for 5-chloro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methoxy-4-(tetrazol-1-yl)benzamide is COc1ccc(NC(=O)c2cc(Cl)c(-n3cnnn3)cc2OC)cc1NS(C)(=O)=O.
What is the InChIKey of 5-chloro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methoxy-4-(tetrazol-1-yl)benzamide?
The InChIKey is POCPACRHKNHBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6O5S/c1-28-15-5-4-10(6-13(15)21-30(3,26)27)20-17(25)11-7-12(18)14(8-16(11)29-2)24-9-19-22-23-24/h4-9,21H,1-3H3,(H,20,25).
What are the key properties of 5-chloro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methoxy-4-(tetrazol-1-yl)benzamide?
5-chloro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methoxy-4-(tetrazol-1-yl)benzamide has a molecular weight of 452.88 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methoxy-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 55827929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).