4-methyl-N-(9-phenyl-8-oxa-15-azatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaen-4-yl)benzenesulfonamide

C28H22N2O3S — CID 162415055

IUPAC4-methyl-N-(9-phenyl-8-oxa-15-azatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaen-4-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)-c2c[nH]c4cccc(c24)C(c2ccccc2)O3)cc1
InChIInChI=1S/C28H22N2O3S/c1-18-10-13-21(14-11-18)34(31,32)30-20-12-15-26-23(16-20)24-17-29-25-9-5-8-22(27(24)25)28(33-26)19-6-3-2-4-7-19/h2-17,28-30H,1H3
InChIKeyQXIZFFSZRMTYPJ-UHFFFAOYSA-N
MW466.56 g/mol
LogP6.43
Rot. Bonds4

About 4-methyl-N-(9-phenyl-8-oxa-15-azatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaen-4-yl)benzenesulfonamide

4-methyl-N-(9-phenyl-8-oxa-15-azatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaen-4-yl)benzenesulfonamide (PubChem CID 162415055) has the molecular formula C28H22N2O3S and a molecular weight of 466.56 g/mol. Its IUPAC name is 4-methyl-N-(9-phenyl-8-oxa-15-azatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaen-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(9-phenyl-8-oxa-15-azatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaen-4-yl)benzenesulfonamide
PubChem CID162415055
Molecular FormulaC28H22N2O3S
Molecular Weight466.56 g/mol
Exact Mass466.14
IUPAC Name4-methyl-N-(9-phenyl-8-oxa-15-azatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaen-4-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)-c2c[nH]c4cccc(c24)C(c2ccccc2)O3)cc1
InChIInChI=1S/C28H22N2O3S/c1-18-10-13-21(14-11-18)34(31,32)30-20-12-15-26-23(16-20)24-17-29-25-9-5-8-22(27(24)25)28(33-26)19-6-3-2-4-7-19/h2-17,28-30H,1H3
InChIKeyQXIZFFSZRMTYPJ-UHFFFAOYSA-N
XLogP6.43
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.56
LogP ≤ 56.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-methyl-N-(9-phenyl-8-oxa-15-azatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaen-4-yl)benzenesulfonamide with MolForge

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Related Compounds

N-(1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)benzenesulfonamide
CID 10297219
diethyl (2S)-6-[(4-methylphenyl)sulfonylamino]-2-phenyl-2,3-dihydro-1,3-benzoxazine-4,4-dicarboxylate
CID 139200949
4-methyl-N-[3-[N-methyl-4-(N-methylanilino)anilino]phenyl]benzenesulfonamide
CID 54015900
N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)benzenesulfonamide
CID 40889368
N-benzo[b][1]benzoxepin-2-yl-4-methylbenzenesulfonamide
CID 169373402
N-[3-(1,3-dithiolan-2-yl)phenyl]-4-methylbenzenesulfonamide
CID 27658327
N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-4-methylbenzenesulfonamide
CID 16809487
4-methyl-N-(3-methylsulfanyl-1H-indol-5-yl)benzenesulfonamide
CID 169372574
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525
N-(3-benzylphenyl)-4-methylbenzenesulfonamide
CID 3765217
4-methyl-N-(3-phenoxyphenyl)benzenesulfonamide
CID 169370090
4-methyl-N-(3-oxo-1,2-dihydroindazol-5-yl)benzenesulfonamide
CID 169370724

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(9-phenyl-8-oxa-15-azatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaen-4-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(9-phenyl-8-oxa-15-azatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaen-4-yl)benzenesulfonamide (CID 162415055) is 4-methyl-N-(9-phenyl-8-oxa-15-azatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaen-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(9-phenyl-8-oxa-15-azatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaen-4-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(9-phenyl-8-oxa-15-azatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaen-4-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)-c2c[nH]c4cccc(c24)C(c2ccccc2)O3)cc1.
What is the InChIKey of 4-methyl-N-(9-phenyl-8-oxa-15-azatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaen-4-yl)benzenesulfonamide?
The InChIKey is QXIZFFSZRMTYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2O3S/c1-18-10-13-21(14-11-18)34(31,32)30-20-12-15-26-23(16-20)24-17-29-25-9-5-8-22(27(24)25)28(33-26)19-6-3-2-4-7-19/h2-17,28-30H,1H3.
What are the key properties of 4-methyl-N-(9-phenyl-8-oxa-15-azatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaen-4-yl)benzenesulfonamide?
4-methyl-N-(9-phenyl-8-oxa-15-azatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaen-4-yl)benzenesulfonamide has a molecular weight of 466.56 g/mol, XLogP of 6.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(9-phenyl-8-oxa-15-azatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaen-4-yl)benzenesulfonamide is sourced from PubChem (CID 162415055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).