5-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-2H-tetrazole

C17H14ClN5O4S — CID 122373537

IUPAC5-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-2H-tetrazole
SMILESCOc1cc(-c2c(Cl)ccn2S(=O)(=O)c2ccc(C)cc2)oc1-c1nn[nH]n1
InChIInChI=1S/C17H14ClN5O4S/c1-10-3-5-11(6-4-10)28(24,25)23-8-7-12(18)15(23)13-9-14(26-2)16(27-13)17-19-21-22-20-17/h3-9H,1-2H3,(H,19,20,21,22)
InChIKeyCFURTZXOIAXPTI-UHFFFAOYSA-N
MW419.85 g/mol
LogP3.14
Rot. Bonds5

About 5-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-2H-tetrazole

5-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-2H-tetrazole (PubChem CID 122373537) has the molecular formula C17H14ClN5O4S and a molecular weight of 419.85 g/mol. Its IUPAC name is 5-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-2H-tetrazole.

Molecular Properties

Compound Name5-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-2H-tetrazole
PubChem CID122373537
Molecular FormulaC17H14ClN5O4S
Molecular Weight419.85 g/mol
Exact Mass419.05
IUPAC Name5-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-2H-tetrazole
SMILESCOc1cc(-c2c(Cl)ccn2S(=O)(=O)c2ccc(C)cc2)oc1-c1nn[nH]n1
InChIInChI=1S/C17H14ClN5O4S/c1-10-3-5-11(6-4-10)28(24,25)23-8-7-12(18)15(23)13-9-14(26-2)16(27-13)17-19-21-22-20-17/h3-9H,1-2H3,(H,19,20,21,22)
InChIKeyCFURTZXOIAXPTI-UHFFFAOYSA-N
XLogP3.14
TPSA115.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.85
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-2-(2H-tetrazol-5-yl)furan-3-yl]oxymethyl]pyridine
CID 126668503
3-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-4H-1,2-oxazol-5-one
CID 159371122
1-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-2-methylsulfonylethanone
CID 159371123
1-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-2,4-dimethylpentan-1-one
CID 126653048
2-[(2-aminophenyl)methylsulfonyl]-1-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]ethanone
CID 158348841
N-[3-(butylamino)propylsulfonyl]-5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-carboxamide
CID 123148502
5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxy-N-pyridin-2-ylsulfonylfuran-2-carboxamide
CID 123550757
N'-amino-5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-(2-morpholin-4-ylethoxy)furan-2-carboximidamide
CID 123370386
2-(3,5-dichloro-4-methoxyphenyl)-1-(4-methylphenyl)sulfonylimidazole
CID 110532647
2-methoxy-5-methyl-N-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 110720262
N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-4-methylbenzenesulfonamide
CID 169370119
N-[5-methoxy-2-(2H-tetrazol-5-yl)phenyl]-4-(4-methylphenyl)benzenesulfonamide
CID 171350497

Frequently Asked Questions

What is the IUPAC name of 5-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-2H-tetrazole?
The IUPAC name of 5-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-2H-tetrazole (CID 122373537) is 5-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-2H-tetrazole.
What is the SMILES notation for 5-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-2H-tetrazole?
The canonical SMILES for 5-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-2H-tetrazole is COc1cc(-c2c(Cl)ccn2S(=O)(=O)c2ccc(C)cc2)oc1-c1nn[nH]n1.
What is the InChIKey of 5-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-2H-tetrazole?
The InChIKey is CFURTZXOIAXPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O4S/c1-10-3-5-11(6-4-10)28(24,25)23-8-7-12(18)15(23)13-9-14(26-2)16(27-13)17-19-21-22-20-17/h3-9H,1-2H3,(H,19,20,21,22).
What are the key properties of 5-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-2H-tetrazole?
5-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-2H-tetrazole has a molecular weight of 419.85 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-2H-tetrazole is sourced from PubChem (CID 122373537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).