2-cyano-N-[6-[5-(3-morpholin-4-ylphenoxy)tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]benzenesulfonamide

C24H25N7O6S — CID 73132348

IUPAC2-cyano-N-[6-[5-(3-morpholin-4-ylphenoxy)tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]benzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)NC1COC2C1OCC2n1nnnc1Oc1cccc(N2CCOCC2)c1
InChIInChI=1S/C24H25N7O6S/c25-13-16-4-1-2-7-21(16)38(32,33)27-19-14-35-23-20(15-36-22(19)23)31-24(26-28-29-31)37-18-6-3-5-17(12-18)30-8-10-34-11-9-30/h1-7,12,19-20,22-23,27H,8-11,14-15H2
InChIKeyZHVWVXORYJKOHB-UHFFFAOYSA-N
MW539.57 g/mol
LogP0.86
Rot. Bonds7

About 2-cyano-N-[6-[5-(3-morpholin-4-ylphenoxy)tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]benzenesulfonamide

2-cyano-N-[6-[5-(3-morpholin-4-ylphenoxy)tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]benzenesulfonamide (PubChem CID 73132348) has the molecular formula C24H25N7O6S and a molecular weight of 539.57 g/mol. Its IUPAC name is 2-cyano-N-[6-[5-(3-morpholin-4-ylphenoxy)tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-[6-[5-(3-morpholin-4-ylphenoxy)tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]benzenesulfonamide
PubChem CID73132348
Molecular FormulaC24H25N7O6S
Molecular Weight539.57 g/mol
Exact Mass539.16
IUPAC Name2-cyano-N-[6-[5-(3-morpholin-4-ylphenoxy)tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]benzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)NC1COC2C1OCC2n1nnnc1Oc1cccc(N2CCOCC2)c1
InChIInChI=1S/C24H25N7O6S/c25-13-16-4-1-2-7-21(16)38(32,33)27-19-14-35-23-20(15-36-22(19)23)31-24(26-28-29-31)37-18-6-3-5-17(12-18)30-8-10-34-11-9-30/h1-7,12,19-20,22-23,27H,8-11,14-15H2
InChIKeyZHVWVXORYJKOHB-UHFFFAOYSA-N
XLogP0.86
TPSA153.72 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.57
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 2-cyano-N-[6-[5-(3-morpholin-4-ylphenoxy)tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]benzenesulfonamide with MolForge

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Related Compounds

4-methyl-N-[6-[5-(3-morpholin-4-ylphenoxy)tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]benzenesulfonamide
CID 73132345
N-[(3S,3aS,6R,6aR)-6-[5-(3-methoxyphenyl)tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-cyanobenzenesulfonamide
CID 162810772
N-(cyclopropylmethyl)-6-[5-(3-morpholin-4-ylphenoxy)tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine
CID 74685832
N-[6-[5-(3-morpholin-4-ylphenoxy)tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]cyclohexanecarboxamide
CID 73132334
1-[(3S,3aS,6R,6aR)-6-[5-(3-morpholin-4-ylphenoxy)tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-cyclohexylthiourea
CID 162806536
N-[(3R,3aR,6S,6aS)-6-(5-phenoxytetrazol-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-methylbenzenesulfonamide
CID 163168002
2-[[(3R,3aR,6R,6aR)-3-[(2-cyanophenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetamide
CID 162837849
N-[(3S,3aR,6S,6aR)-6-[5-(3-methoxyphenyl)tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]naphthalene-2-sulfonamide
CID 11887301
N-[(3S,3aR,6S,6aR)-6-(5-phenoxytetrazol-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-methylbenzamide
CID 11886181
3-[[[6-[5-(1,3-benzodioxol-5-yloxy)tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]methyl]benzonitrile
CID 74687733
2-[2-[[(3S,3aR,6S,6aR)-6-(5-phenoxytetrazol-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-2-oxoethoxy]acetic acid
CID 11886297
2-cyano-N-(2-cyclopropyloxolan-3-yl)benzenesulfonamide
CID 103864178

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[6-[5-(3-morpholin-4-ylphenoxy)tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]benzenesulfonamide?
The IUPAC name of 2-cyano-N-[6-[5-(3-morpholin-4-ylphenoxy)tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]benzenesulfonamide (CID 73132348) is 2-cyano-N-[6-[5-(3-morpholin-4-ylphenoxy)tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-[6-[5-(3-morpholin-4-ylphenoxy)tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]benzenesulfonamide?
The canonical SMILES for 2-cyano-N-[6-[5-(3-morpholin-4-ylphenoxy)tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]benzenesulfonamide is N#Cc1ccccc1S(=O)(=O)NC1COC2C1OCC2n1nnnc1Oc1cccc(N2CCOCC2)c1.
What is the InChIKey of 2-cyano-N-[6-[5-(3-morpholin-4-ylphenoxy)tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]benzenesulfonamide?
The InChIKey is ZHVWVXORYJKOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O6S/c25-13-16-4-1-2-7-21(16)38(32,33)27-19-14-35-23-20(15-36-22(19)23)31-24(26-28-29-31)37-18-6-3-5-17(12-18)30-8-10-34-11-9-30/h1-7,12,19-20,22-23,27H,8-11,14-15H2.
What are the key properties of 2-cyano-N-[6-[5-(3-morpholin-4-ylphenoxy)tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]benzenesulfonamide?
2-cyano-N-[6-[5-(3-morpholin-4-ylphenoxy)tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]benzenesulfonamide has a molecular weight of 539.57 g/mol, XLogP of 0.86, 7 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[6-[5-(3-morpholin-4-ylphenoxy)tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]benzenesulfonamide is sourced from PubChem (CID 73132348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).