2-(benzenesulfonamido)-N-(1-butyl-2-oxobenzo[cd]indol-6-yl)benzamide

C28H25N3O4S — CID 121040722

IUPAC2-(benzenesulfonamido)-N-(1-butyl-2-oxobenzo[cd]indol-6-yl)benzamide
SMILESCCCCN1C(=O)c2cccc3c(NC(=O)c4ccccc4NS(=O)(=O)c4ccccc4)ccc1c23
InChIInChI=1S/C28H25N3O4S/c1-2-3-18-31-25-17-16-23(20-13-9-14-22(26(20)25)28(31)33)29-27(32)21-12-7-8-15-24(21)30-36(34,35)19-10-5-4-6-11-19/h4-17,30H,2-3,18H2,1H3,(H,29,32)
InChIKeySCVNPDGXQVTWCX-UHFFFAOYSA-N
MW499.59 g/mol
LogP5.65
Rot. Bonds8

About 2-(benzenesulfonamido)-N-(1-butyl-2-oxobenzo[cd]indol-6-yl)benzamide

2-(benzenesulfonamido)-N-(1-butyl-2-oxobenzo[cd]indol-6-yl)benzamide (PubChem CID 121040722) has the molecular formula C28H25N3O4S and a molecular weight of 499.59 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-(1-butyl-2-oxobenzo[cd]indol-6-yl)benzamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-(1-butyl-2-oxobenzo[cd]indol-6-yl)benzamide
PubChem CID121040722
Molecular FormulaC28H25N3O4S
Molecular Weight499.59 g/mol
Exact Mass499.16
IUPAC Name2-(benzenesulfonamido)-N-(1-butyl-2-oxobenzo[cd]indol-6-yl)benzamide
SMILESCCCCN1C(=O)c2cccc3c(NC(=O)c4ccccc4NS(=O)(=O)c4ccccc4)ccc1c23
InChIInChI=1S/C28H25N3O4S/c1-2-3-18-31-25-17-16-23(20-13-9-14-22(26(20)25)28(31)33)29-27(32)21-12-7-8-15-24(21)30-36(34,35)19-10-5-4-6-11-19/h4-17,30H,2-3,18H2,1H3,(H,29,32)
InChIKeySCVNPDGXQVTWCX-UHFFFAOYSA-N
XLogP5.65
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.59
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide
CID 6611008
N-(1-butyl-2-oxobenzo[cd]indol-6-yl)-2,6-difluorobenzamide
CID 7136429
N-(1-butyl-2-oxobenzo[cd]indol-6-yl)-2-(4-methylsulfonylphenyl)acetamide
CID 41139612
N-(1-butyl-2-oxobenzo[cd]indol-6-yl)-3,4,5-trimethoxybenzamide
CID 23822606
N-(1-butyl-2-oxobenzo[cd]indol-6-yl)-3-(4-methoxyphenyl)sulfonylpropanamide
CID 41323898
4-chloro-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide
CID 1395662
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-methylsulfanylbenzamide
CID 7565002
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-methylsulfonylbenzenesulfonamide
CID 134164682
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)pentanamide
CID 3238683
N-(1-butyl-2-oxobenzo[cd]indol-6-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 16863418
4-benzyl-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide
CID 4208820
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-oxochromene-3-carboxamide
CID 23794306

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-(1-butyl-2-oxobenzo[cd]indol-6-yl)benzamide?
The IUPAC name of 2-(benzenesulfonamido)-N-(1-butyl-2-oxobenzo[cd]indol-6-yl)benzamide (CID 121040722) is 2-(benzenesulfonamido)-N-(1-butyl-2-oxobenzo[cd]indol-6-yl)benzamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-(1-butyl-2-oxobenzo[cd]indol-6-yl)benzamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-(1-butyl-2-oxobenzo[cd]indol-6-yl)benzamide is CCCCN1C(=O)c2cccc3c(NC(=O)c4ccccc4NS(=O)(=O)c4ccccc4)ccc1c23.
What is the InChIKey of 2-(benzenesulfonamido)-N-(1-butyl-2-oxobenzo[cd]indol-6-yl)benzamide?
The InChIKey is SCVNPDGXQVTWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O4S/c1-2-3-18-31-25-17-16-23(20-13-9-14-22(26(20)25)28(31)33)29-27(32)21-12-7-8-15-24(21)30-36(34,35)19-10-5-4-6-11-19/h4-17,30H,2-3,18H2,1H3,(H,29,32).
What are the key properties of 2-(benzenesulfonamido)-N-(1-butyl-2-oxobenzo[cd]indol-6-yl)benzamide?
2-(benzenesulfonamido)-N-(1-butyl-2-oxobenzo[cd]indol-6-yl)benzamide has a molecular weight of 499.59 g/mol, XLogP of 5.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-(1-butyl-2-oxobenzo[cd]indol-6-yl)benzamide is sourced from PubChem (CID 121040722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).