25-(benzenesulfonyl)-5-oxa-15-thia-25-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6,8,10,13,16,18(26),19,21,23-dodecaene

C30H17NO3S2 — CID 162404480

IUPAC25-(benzenesulfonyl)-5-oxa-15-thia-25-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6,8,10,13,16,18(26),19,21,23-dodecaene
SMILESO=S(=O)(c1ccccc1)n1c2ccccc2c2cc3sc4cc5c(cc4c3cc21)oc1ccccc15
InChIInChI=1S/C30H17NO3S2/c32-36(33,18-8-2-1-3-9-18)31-25-12-6-4-10-19(25)21-16-29-23(14-26(21)31)24-15-28-22(17-30(24)35-29)20-11-5-7-13-27(20)34-28/h1-17H
InChIKeyBUJBWZTZBKCQCW-UHFFFAOYSA-N
MW503.60 g/mol
LogP8.30
Rot. Bonds2

About 25-(benzenesulfonyl)-5-oxa-15-thia-25-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6,8,10,13,16,18(26),19,21,23-dodecaene

25-(benzenesulfonyl)-5-oxa-15-thia-25-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6,8,10,13,16,18(26),19,21,23-dodecaene (PubChem CID 162404480) has the molecular formula C30H17NO3S2 and a molecular weight of 503.60 g/mol. Its IUPAC name is 25-(benzenesulfonyl)-5-oxa-15-thia-25-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6,8,10,13,16,18(26),19,21,23-dodecaene.

Molecular Properties

Compound Name25-(benzenesulfonyl)-5-oxa-15-thia-25-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6,8,10,13,16,18(26),19,21,23-dodecaene
PubChem CID162404480
Molecular FormulaC30H17NO3S2
Molecular Weight503.60 g/mol
Exact Mass503.06
IUPAC Name25-(benzenesulfonyl)-5-oxa-15-thia-25-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6,8,10,13,16,18(26),19,21,23-dodecaene
SMILESO=S(=O)(c1ccccc1)n1c2ccccc2c2cc3sc4cc5c(cc4c3cc21)oc1ccccc15
InChIInChI=1S/C30H17NO3S2/c32-36(33,18-8-2-1-3-9-18)31-25-12-6-4-10-19(25)21-16-29-23(14-26(21)31)24-15-28-22(17-30(24)35-29)20-11-5-7-13-27(20)34-28/h1-17H
InChIKeyBUJBWZTZBKCQCW-UHFFFAOYSA-N
XLogP8.30
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.60
LogP ≤ 58.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 25-(benzenesulfonyl)-5-oxa-15-thia-25-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6,8,10,13,16,18(26),19,21,23-dodecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Dibenzofuran-2-yl-9-(2,3-diphenyl-1-benzothiophen-5-yl)-1,8-difluoro-6-methylcarbazole
CID 134337714
3-Dibenzofuran-2-yl-9-(2,3-diphenyl-1-benzothiophen-5-yl)-1,8-difluoro-6-(trifluoromethyl)carbazole
CID 134343628
6-Dibenzofuran-4-yl-9-dibenzothiophen-2-yl-2-fluorocarbazole
CID 146368869
N-[4-([1]benzothiolo[3,2-b][1]benzofuran-2-yl)phenyl]-4-[9-(4-fluorophenyl)carbazol-3-yl]-N-phenylaniline
CID 155135461
N-[4-([1]benzothiolo[3,2-b][1]benzofuran-7-yl)phenyl]-4-[9-(4-fluorophenyl)carbazol-3-yl]-N-phenylaniline
CID 155135572
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[2-(2-fluorocarbazol-9-yl)phenyl]phenyl]dibenzothiophen-2-amine
CID 169073534
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]dibenzothiophen-2-amine
CID 169073634
11-(Benzenesulfonyl)-[1]benzofuro[3,2-b]carbazole
CID 25213370
11-(Benzenesulfonyl)-25-oxa-15-thia-11-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),19,21,23-dodecaene
CID 162404148
3-Dibenzofuran-2-yl-6-(9-dibenzothiophen-2-yl-6-phenylcarbazol-3-yl)-9-phenylcarbazole
CID 53491596
9-[8-[3-(3-Dibenzofuran-2-ylphenyl)phenyl]dibenzothiophen-2-yl]carbazole
CID 57544057
9-[3-[3-(3-Dibenzofuran-2-ylphenyl)-5-dibenzothiophen-2-ylphenyl]phenyl]carbazole
CID 57544199

Frequently Asked Questions

What is the IUPAC name of 25-(benzenesulfonyl)-5-oxa-15-thia-25-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6,8,10,13,16,18(26),19,21,23-dodecaene?
The IUPAC name of 25-(benzenesulfonyl)-5-oxa-15-thia-25-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6,8,10,13,16,18(26),19,21,23-dodecaene (CID 162404480) is 25-(benzenesulfonyl)-5-oxa-15-thia-25-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6,8,10,13,16,18(26),19,21,23-dodecaene.
What is the SMILES notation for 25-(benzenesulfonyl)-5-oxa-15-thia-25-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6,8,10,13,16,18(26),19,21,23-dodecaene?
The canonical SMILES for 25-(benzenesulfonyl)-5-oxa-15-thia-25-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6,8,10,13,16,18(26),19,21,23-dodecaene is O=S(=O)(c1ccccc1)n1c2ccccc2c2cc3sc4cc5c(cc4c3cc21)oc1ccccc15.
What is the InChIKey of 25-(benzenesulfonyl)-5-oxa-15-thia-25-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6,8,10,13,16,18(26),19,21,23-dodecaene?
The InChIKey is BUJBWZTZBKCQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H17NO3S2/c32-36(33,18-8-2-1-3-9-18)31-25-12-6-4-10-19(25)21-16-29-23(14-26(21)31)24-15-28-22(17-30(24)35-29)20-11-5-7-13-27(20)34-28/h1-17H.
What are the key properties of 25-(benzenesulfonyl)-5-oxa-15-thia-25-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6,8,10,13,16,18(26),19,21,23-dodecaene?
25-(benzenesulfonyl)-5-oxa-15-thia-25-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6,8,10,13,16,18(26),19,21,23-dodecaene has a molecular weight of 503.60 g/mol, XLogP of 8.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 25-(benzenesulfonyl)-5-oxa-15-thia-25-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6,8,10,13,16,18(26),19,21,23-dodecaene is sourced from PubChem (CID 162404480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).