N-[2-[1-(benzenesulfonyl)indole-2-carbonyl]phenyl]benzamide

C28H20N2O4S — CID 11733543

IUPACN-[2-[1-(benzenesulfonyl)indole-2-carbonyl]phenyl]benzamide
SMILESO=C(Nc1ccccc1C(=O)c1cc2ccccc2n1S(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H20N2O4S/c31-27(23-16-8-9-17-24(23)29-28(32)20-11-3-1-4-12-20)26-19-21-13-7-10-18-25(21)30(26)35(33,34)22-14-5-2-6-15-22/h1-19H,(H,29,32)
InChIKeyKAWWNVWSJAPFPY-UHFFFAOYSA-N
MW480.55 g/mol
LogP5.36
Rot. Bonds6

About N-[2-[1-(benzenesulfonyl)indole-2-carbonyl]phenyl]benzamide

N-[2-[1-(benzenesulfonyl)indole-2-carbonyl]phenyl]benzamide (PubChem CID 11733543) has the molecular formula C28H20N2O4S and a molecular weight of 480.55 g/mol. Its IUPAC name is N-[2-[1-(benzenesulfonyl)indole-2-carbonyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[2-[1-(benzenesulfonyl)indole-2-carbonyl]phenyl]benzamide
PubChem CID11733543
Molecular FormulaC28H20N2O4S
Molecular Weight480.55 g/mol
Exact Mass480.11
IUPAC NameN-[2-[1-(benzenesulfonyl)indole-2-carbonyl]phenyl]benzamide
SMILESO=C(Nc1ccccc1C(=O)c1cc2ccccc2n1S(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H20N2O4S/c31-27(23-16-8-9-17-24(23)29-28(32)20-11-3-1-4-12-20)26-19-21-13-7-10-18-25(21)30(26)35(33,34)22-14-5-2-6-15-22/h1-19H,(H,29,32)
InChIKeyKAWWNVWSJAPFPY-UHFFFAOYSA-N
XLogP5.36
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.55
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(benzenesulfonyl)indol-2-yl]-naphthalen-2-ylmethanone
CID 56955530
1-(benzenesulfonyl)indole-2-carbonyl chloride
CID 2776221
1-(benzenesulfonyl)-N-(pyridin-4-ylmethyl)indole-2-carboxamide
CID 71731527
CID 88588324
CID 88588324
zinc bis(2-benzamidobenzoate)
CID 67586546
[1-(benzenesulfonyl)indol-2-yl]-(3,5-dibromo-1,2,4-triazol-1-yl)methanone
CID 175588444
N-(2-benzoylphenyl)-4-iodobenzamide
CID 76851682
[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2,3-dimethoxyphenyl)methanone
CID 10863318
[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2,4-dimethoxyphenyl)methanone
CID 11730089
1-(benzenesulfonyl)-2-chloroindole
CID 14416100
2-benzamidobenzamide
CID 702115
3-[1-(benzenesulfonyl)indol-2-yl]prop-2-enoic acid
CID 67045077

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(benzenesulfonyl)indole-2-carbonyl]phenyl]benzamide?
The IUPAC name of N-[2-[1-(benzenesulfonyl)indole-2-carbonyl]phenyl]benzamide (CID 11733543) is N-[2-[1-(benzenesulfonyl)indole-2-carbonyl]phenyl]benzamide.
What is the SMILES notation for N-[2-[1-(benzenesulfonyl)indole-2-carbonyl]phenyl]benzamide?
The canonical SMILES for N-[2-[1-(benzenesulfonyl)indole-2-carbonyl]phenyl]benzamide is O=C(Nc1ccccc1C(=O)c1cc2ccccc2n1S(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-[1-(benzenesulfonyl)indole-2-carbonyl]phenyl]benzamide?
The InChIKey is KAWWNVWSJAPFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N2O4S/c31-27(23-16-8-9-17-24(23)29-28(32)20-11-3-1-4-12-20)26-19-21-13-7-10-18-25(21)30(26)35(33,34)22-14-5-2-6-15-22/h1-19H,(H,29,32).
What are the key properties of N-[2-[1-(benzenesulfonyl)indole-2-carbonyl]phenyl]benzamide?
N-[2-[1-(benzenesulfonyl)indole-2-carbonyl]phenyl]benzamide has a molecular weight of 480.55 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(benzenesulfonyl)indole-2-carbonyl]phenyl]benzamide is sourced from PubChem (CID 11733543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).