N-(3-acetylphenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide

C21H18N2O4S — CID 15944574

IUPACN-(3-acetylphenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide
SMILESCCN1C(=O)c2cccc3c(S(=O)(=O)Nc4cccc(C(C)=O)c4)ccc1c23
InChIInChI=1S/C21H18N2O4S/c1-3-23-18-10-11-19(16-8-5-9-17(20(16)18)21(23)25)28(26,27)22-15-7-4-6-14(12-15)13(2)24/h4-12,22H,3H2,1-2H3
InChIKeyGUQFBNIBOLNMAM-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.82
Rot. Bonds5

About N-(3-acetylphenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide

N-(3-acetylphenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide (PubChem CID 15944574) has the molecular formula C21H18N2O4S and a molecular weight of 394.45 g/mol. Its IUPAC name is N-(3-acetylphenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide
PubChem CID15944574
Molecular FormulaC21H18N2O4S
Molecular Weight394.45 g/mol
Exact Mass394.10
IUPAC NameN-(3-acetylphenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide
SMILESCCN1C(=O)c2cccc3c(S(=O)(=O)Nc4cccc(C(C)=O)c4)ccc1c23
InChIInChI=1S/C21H18N2O4S/c1-3-23-18-10-11-19(16-8-5-9-17(20(16)18)21(23)25)28(26,27)22-15-7-4-6-14(12-15)13(2)24/h4-12,22H,3H2,1-2H3
InChIKeyGUQFBNIBOLNMAM-UHFFFAOYSA-N
XLogP3.82
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide?
The IUPAC name of N-(3-acetylphenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide (CID 15944574) is N-(3-acetylphenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide.
What is the SMILES notation for N-(3-acetylphenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide?
The canonical SMILES for N-(3-acetylphenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide is CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4cccc(C(C)=O)c4)ccc1c23.
What is the InChIKey of N-(3-acetylphenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide?
The InChIKey is GUQFBNIBOLNMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4S/c1-3-23-18-10-11-19(16-8-5-9-17(20(16)18)21(23)25)28(26,27)22-15-7-4-6-14(12-15)13(2)24/h4-12,22H,3H2,1-2H3.
What are the key properties of N-(3-acetylphenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide?
N-(3-acetylphenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide has a molecular weight of 394.45 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 15944574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).