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

C17H17ClN6O4S — CID 55776331

IUPAC5-chloro-N-[[2-(methanesulfonamido)phenyl]methyl]-2-methoxy-4-(tetrazol-1-yl)benzamide
SMILESCOc1cc(-n2cnnn2)c(Cl)cc1C(=O)NCc1ccccc1NS(C)(=O)=O
InChIInChI=1S/C17H17ClN6O4S/c1-28-16-8-15(24-10-20-22-23-24)13(18)7-12(16)17(25)19-9-11-5-3-4-6-14(11)21-29(2,26)27/h3-8,10,21H,9H2,1-2H3,(H,19,25)
InChIKeyAEQCBFWXBBGAGK-UHFFFAOYSA-N
MW436.88 g/mol
LogP1.63
Rot. Bonds7

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

5-chloro-N-[[2-(methanesulfonamido)phenyl]methyl]-2-methoxy-4-(tetrazol-1-yl)benzamide (PubChem CID 55776331) has the molecular formula C17H17ClN6O4S and a molecular weight of 436.88 g/mol. Its IUPAC name is 5-chloro-N-[[2-(methanesulfonamido)phenyl]methyl]-2-methoxy-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name5-chloro-N-[[2-(methanesulfonamido)phenyl]methyl]-2-methoxy-4-(tetrazol-1-yl)benzamide
PubChem CID55776331
Molecular FormulaC17H17ClN6O4S
Molecular Weight436.88 g/mol
Exact Mass436.07
IUPAC Name5-chloro-N-[[2-(methanesulfonamido)phenyl]methyl]-2-methoxy-4-(tetrazol-1-yl)benzamide
SMILESCOc1cc(-n2cnnn2)c(Cl)cc1C(=O)NCc1ccccc1NS(C)(=O)=O
InChIInChI=1S/C17H17ClN6O4S/c1-28-16-8-15(24-10-20-22-23-24)13(18)7-12(16)17(25)19-9-11-5-3-4-6-14(11)21-29(2,26)27/h3-8,10,21H,9H2,1-2H3,(H,19,25)
InChIKeyAEQCBFWXBBGAGK-UHFFFAOYSA-N
XLogP1.63
TPSA128.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.88
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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N-[(4-bromo-3-fluorophenyl)methyl]-5-chloro-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 86868037
5-chloro-2-methoxy-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-4-(tetrazol-1-yl)benzamide
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CID 55892914
5-chloro-2-methoxy-N-[3-(phenylcarbamoylamino)phenyl]-4-(tetrazol-1-yl)benzamide
CID 55776312
5-chloro-2-methoxy-N-[2-[(2S)-oxolan-2-yl]ethyl]-4-(tetrazol-1-yl)benzamide
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5-chloro-2-methoxy-N-[2-[(2R)-oxolan-2-yl]ethyl]-4-(tetrazol-1-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[2-(methanesulfonamido)phenyl]methyl]-2-methoxy-4-(tetrazol-1-yl)benzamide?
The IUPAC name of 5-chloro-N-[[2-(methanesulfonamido)phenyl]methyl]-2-methoxy-4-(tetrazol-1-yl)benzamide (CID 55776331) is 5-chloro-N-[[2-(methanesulfonamido)phenyl]methyl]-2-methoxy-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 5-chloro-N-[[2-(methanesulfonamido)phenyl]methyl]-2-methoxy-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for 5-chloro-N-[[2-(methanesulfonamido)phenyl]methyl]-2-methoxy-4-(tetrazol-1-yl)benzamide is COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NCc1ccccc1NS(C)(=O)=O.
What is the InChIKey of 5-chloro-N-[[2-(methanesulfonamido)phenyl]methyl]-2-methoxy-4-(tetrazol-1-yl)benzamide?
The InChIKey is AEQCBFWXBBGAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6O4S/c1-28-16-8-15(24-10-20-22-23-24)13(18)7-12(16)17(25)19-9-11-5-3-4-6-14(11)21-29(2,26)27/h3-8,10,21H,9H2,1-2H3,(H,19,25).
What are the key properties of 5-chloro-N-[[2-(methanesulfonamido)phenyl]methyl]-2-methoxy-4-(tetrazol-1-yl)benzamide?
5-chloro-N-[[2-(methanesulfonamido)phenyl]methyl]-2-methoxy-4-(tetrazol-1-yl)benzamide has a molecular weight of 436.88 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[2-(methanesulfonamido)phenyl]methyl]-2-methoxy-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 55776331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).