4-(benzenesulfonyl)-2-benzyl-1-methyl-3-phenylpyrrolo[3,4-b]indole

C30H24N2O2S — CID 15504984

IUPAC4-(benzenesulfonyl)-2-benzyl-1-methyl-3-phenylpyrrolo[3,4-b]indole
SMILESCc1c2c3ccccc3n(S(=O)(=O)c3ccccc3)c2c(-c2ccccc2)n1Cc1ccccc1
InChIInChI=1S/C30H24N2O2S/c1-22-28-26-19-11-12-20-27(26)32(35(33,34)25-17-9-4-10-18-25)30(28)29(24-15-7-3-8-16-24)31(22)21-23-13-5-2-6-14-23/h2-20H,21H2,1H3
InChIKeyOLCJZJJCYKLXHI-UHFFFAOYSA-N
MW476.60 g/mol
LogP6.86
Rot. Bonds5

About 4-(benzenesulfonyl)-2-benzyl-1-methyl-3-phenylpyrrolo[3,4-b]indole

4-(benzenesulfonyl)-2-benzyl-1-methyl-3-phenylpyrrolo[3,4-b]indole (PubChem CID 15504984) has the molecular formula C30H24N2O2S and a molecular weight of 476.60 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-2-benzyl-1-methyl-3-phenylpyrrolo[3,4-b]indole.

Molecular Properties

Compound Name4-(benzenesulfonyl)-2-benzyl-1-methyl-3-phenylpyrrolo[3,4-b]indole
PubChem CID15504984
Molecular FormulaC30H24N2O2S
Molecular Weight476.60 g/mol
Exact Mass476.16
IUPAC Name4-(benzenesulfonyl)-2-benzyl-1-methyl-3-phenylpyrrolo[3,4-b]indole
SMILESCc1c2c3ccccc3n(S(=O)(=O)c3ccccc3)c2c(-c2ccccc2)n1Cc1ccccc1
InChIInChI=1S/C30H24N2O2S/c1-22-28-26-19-11-12-20-27(26)32(35(33,34)25-17-9-4-10-18-25)30(28)29(24-15-7-3-8-16-24)31(22)21-23-13-5-2-6-14-23/h2-20H,21H2,1H3
InChIKeyOLCJZJJCYKLXHI-UHFFFAOYSA-N
XLogP6.86
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.60
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(benzenesulfonyl)-2-benzyl-1-methyl-3-phenylpyrrolo[3,4-b]indole 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

9-(benzenesulfonyl)-4-methylcarbazole
CID 14594808
tert-butyl 4-(benzenesulfonyl)-1,3-dimethylpyrrolo[3,4-b]indole-2-carboxylate
CID 11080394
1-(benzenesulfonyl)-2,3-bis(4-chlorophenyl)indole
CID 15473667
1-(benzenesulfonyl)-3-iodo-2-methylindole
CID 11538519
1-(benzenesulfonyl)-2,3-bis(chloromethyl)indole
CID 10428188
1-(benzenesulfonyl)-3-(methoxymethyl)indole-2-sulfonyl chloride
CID 88924851
3-(difluoromethylsulfanyl)-1-(4-methylphenyl)sulfonyl-2-phenylindole
CID 175597794
1-(benzenesulfonyl)-2-methylindole-3-carbonitrile
CID 139071665
1-(benzenesulfonyl)-2-chloro-3-ethylindole
CID 14416105
[1-(4-methylphenyl)sulfonyl-3-phenylindol-2-yl]methylphosphane
CID 175023681
1-benzyl-3-[4-(1-benzyl-2-phenylindol-3-yl)phenyl]-2-phenylindole
CID 86235085
CID 88904816
CID 88904816

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-2-benzyl-1-methyl-3-phenylpyrrolo[3,4-b]indole?
The IUPAC name of 4-(benzenesulfonyl)-2-benzyl-1-methyl-3-phenylpyrrolo[3,4-b]indole (CID 15504984) is 4-(benzenesulfonyl)-2-benzyl-1-methyl-3-phenylpyrrolo[3,4-b]indole.
What is the SMILES notation for 4-(benzenesulfonyl)-2-benzyl-1-methyl-3-phenylpyrrolo[3,4-b]indole?
The canonical SMILES for 4-(benzenesulfonyl)-2-benzyl-1-methyl-3-phenylpyrrolo[3,4-b]indole is Cc1c2c3ccccc3n(S(=O)(=O)c3ccccc3)c2c(-c2ccccc2)n1Cc1ccccc1.
What is the InChIKey of 4-(benzenesulfonyl)-2-benzyl-1-methyl-3-phenylpyrrolo[3,4-b]indole?
The InChIKey is OLCJZJJCYKLXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O2S/c1-22-28-26-19-11-12-20-27(26)32(35(33,34)25-17-9-4-10-18-25)30(28)29(24-15-7-3-8-16-24)31(22)21-23-13-5-2-6-14-23/h2-20H,21H2,1H3.
What are the key properties of 4-(benzenesulfonyl)-2-benzyl-1-methyl-3-phenylpyrrolo[3,4-b]indole?
4-(benzenesulfonyl)-2-benzyl-1-methyl-3-phenylpyrrolo[3,4-b]indole has a molecular weight of 476.60 g/mol, XLogP of 6.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-2-benzyl-1-methyl-3-phenylpyrrolo[3,4-b]indole is sourced from PubChem (CID 15504984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).