bis[3,4-bis[1-(benzenesulfonyl)indol-2-yl]phenyl]methanone

C69H46N4O9S4 — CID 174625594

IUPACbis[3,4-bis[1-(benzenesulfonyl)indol-2-yl]phenyl]methanone
SMILESO=C(c1ccc(-c2cc3ccccc3n2S(=O)(=O)c2ccccc2)c(-c2cc3ccccc3n2S(=O)(=O)c2ccccc2)c1)c1ccc(-c2cc3ccccc3n2S(=O)(=O)c2ccccc2)c(-c2cc3ccccc3n2S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C69H46N4O9S4/c74-69(51-37-39-57(65-43-47-21-13-17-33-61(47)70(65)83(75,76)53-25-5-1-6-26-53)59(41-51)67-45-49-23-15-19-35-63(49)72(67)85(79,80)55-29-9-3-10-30-55)52-38-40-58(66-44-48-22-14-18-34-62(48)71(66)84(77,78)54-27-7-2-8-28-54)60(42-52)68-46-50-24-16-20-36-64(50)73(68)86(81,82)56-31-11-4-12-32-56/h1-46H
InChIKeyUGQWZTZKQCRBOJ-UHFFFAOYSA-N
MW1203.41 g/mol
LogP14.35
Rot. Bonds14

About bis[3,4-bis[1-(benzenesulfonyl)indol-2-yl]phenyl]methanone

bis[3,4-bis[1-(benzenesulfonyl)indol-2-yl]phenyl]methanone (PubChem CID 174625594) has the molecular formula C69H46N4O9S4 and a molecular weight of 1203.41 g/mol. Its IUPAC name is bis[3,4-bis[1-(benzenesulfonyl)indol-2-yl]phenyl]methanone.

Molecular Properties

Compound Namebis[3,4-bis[1-(benzenesulfonyl)indol-2-yl]phenyl]methanone
PubChem CID174625594
Molecular FormulaC69H46N4O9S4
Molecular Weight1203.41 g/mol
Exact Mass1202.21
IUPAC Namebis[3,4-bis[1-(benzenesulfonyl)indol-2-yl]phenyl]methanone
SMILESO=C(c1ccc(-c2cc3ccccc3n2S(=O)(=O)c2ccccc2)c(-c2cc3ccccc3n2S(=O)(=O)c2ccccc2)c1)c1ccc(-c2cc3ccccc3n2S(=O)(=O)c2ccccc2)c(-c2cc3ccccc3n2S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C69H46N4O9S4/c74-69(51-37-39-57(65-43-47-21-13-17-33-61(47)70(65)83(75,76)53-25-5-1-6-26-53)59(41-51)67-45-49-23-15-19-35-63(49)72(67)85(79,80)55-29-9-3-10-30-55)52-38-40-58(66-44-48-22-14-18-34-62(48)71(66)84(77,78)54-27-7-2-8-28-54)60(42-52)68-46-50-24-16-20-36-64(50)73(68)86(81,82)56-31-11-4-12-32-56/h1-46H
InChIKeyUGQWZTZKQCRBOJ-UHFFFAOYSA-N
XLogP14.35
TPSA173.35 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds14
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001203.41
LogP ≤ 514.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

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Related Compounds

[1-(benzenesulfonyl)indol-2-yl]-naphthalen-2-ylmethanone
CID 56955530
1-(benzenesulfonyl)-2-(2-methylphenyl)indole
CID 173032867
1-(benzenesulfonyl)indole-2-carbonyl chloride
CID 2776221
CID 88588324
CID 88588324
1-(benzenesulfonyl)-2-chloroindole
CID 14416100
methyl 2-[1-(benzenesulfonyl)indol-2-yl]pyridine-4-carboxylate
CID 10715529
3-[1-(benzenesulfonyl)indol-2-yl]prop-2-enoic acid
CID 67045077
2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylindole
CID 139694978
[2-amino-3-(benzenesulfonyl)benzimidazol-5-yl]-phenylmethanone
CID 71321268
[1-(benzenesulfonyl)indol-2-yl]-trimethylstannane
CID 15421387
1-(benzenesulfonyl)-2-(chloromethyl)indole
CID 18925433
1-[1-(benzenesulfonyl)indol-2-yl]-3-methylbut-2-en-1-one
CID 23254190

Frequently Asked Questions

What is the IUPAC name of bis[3,4-bis[1-(benzenesulfonyl)indol-2-yl]phenyl]methanone?
The IUPAC name of bis[3,4-bis[1-(benzenesulfonyl)indol-2-yl]phenyl]methanone (CID 174625594) is bis[3,4-bis[1-(benzenesulfonyl)indol-2-yl]phenyl]methanone.
What is the SMILES notation for bis[3,4-bis[1-(benzenesulfonyl)indol-2-yl]phenyl]methanone?
The canonical SMILES for bis[3,4-bis[1-(benzenesulfonyl)indol-2-yl]phenyl]methanone is O=C(c1ccc(-c2cc3ccccc3n2S(=O)(=O)c2ccccc2)c(-c2cc3ccccc3n2S(=O)(=O)c2ccccc2)c1)c1ccc(-c2cc3ccccc3n2S(=O)(=O)c2ccccc2)c(-c2cc3ccccc3n2S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of bis[3,4-bis[1-(benzenesulfonyl)indol-2-yl]phenyl]methanone?
The InChIKey is UGQWZTZKQCRBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H46N4O9S4/c74-69(51-37-39-57(65-43-47-21-13-17-33-61(47)70(65)83(75,76)53-25-5-1-6-26-53)59(41-51)67-45-49-23-15-19-35-63(49)72(67)85(79,80)55-29-9-3-10-30-55)52-38-40-58(66-44-48-22-14-18-34-62(48)71(66)84(77,78)54-27-7-2-8-28-54)60(42-52)68-46-50-24-16-20-36-64(50)73(68)86(81,82)56-31-11-4-12-32-56/h1-46H.
What are the key properties of bis[3,4-bis[1-(benzenesulfonyl)indol-2-yl]phenyl]methanone?
bis[3,4-bis[1-(benzenesulfonyl)indol-2-yl]phenyl]methanone has a molecular weight of 1203.41 g/mol, XLogP of 14.35, 14 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for bis[3,4-bis[1-(benzenesulfonyl)indol-2-yl]phenyl]methanone is sourced from PubChem (CID 174625594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).