4-chloro-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide

C19H15ClN2O3S — CID 1395662

IUPAC4-chloro-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide
SMILESCCN1C(=O)c2cccc3c(NS(=O)(=O)c4ccc(Cl)cc4)ccc1c23
InChIInChI=1S/C19H15ClN2O3S/c1-2-22-17-11-10-16(14-4-3-5-15(18(14)17)19(22)23)21-26(24,25)13-8-6-12(20)7-9-13/h3-11,21H,2H2,1H3
InChIKeyDKLHCGKMWFTIIQ-UHFFFAOYSA-N
MW386.86 g/mol
LogP4.27
Rot. Bonds4

About 4-chloro-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide

4-chloro-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide (PubChem CID 1395662) has the molecular formula C19H15ClN2O3S and a molecular weight of 386.86 g/mol. Its IUPAC name is 4-chloro-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide
PubChem CID1395662
Molecular FormulaC19H15ClN2O3S
Molecular Weight386.86 g/mol
Exact Mass386.05
IUPAC Name4-chloro-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide
SMILESCCN1C(=O)c2cccc3c(NS(=O)(=O)c4ccc(Cl)cc4)ccc1c23
InChIInChI=1S/C19H15ClN2O3S/c1-2-22-17-11-10-16(14-4-3-5-15(18(14)17)19(22)23)21-26(24,25)13-8-6-12(20)7-9-13/h3-11,21H,2H2,1H3
InChIKeyDKLHCGKMWFTIIQ-UHFFFAOYSA-N
XLogP4.27
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 1192817
N-(1-Ethyl-2-Oxo-1,2-Dihydrobenzo[cd]indol-6-Yl)benzenesulfonamide
CID 6611008
2-Chloro-N-(1-Ethyl-2-Oxo-1,2-Dihydrobenzo[cd]indol-6-Yl)-4-Fluorobenzenesulfonamide
CID 105539840
N-(1-Ethyl-2-Oxo-1,2-Dihydrobenzo[cd]indol-6-Yl)butane-1-Sulfonamide
CID 105539842
1-ethyl-N-(4-fluorophenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 1534872
N-(3,4-dichlorophenylsulfonyl)-3-(1-(naphthalen-2-ylmethyl)-2-oxoindolin-7-yl)acrylamide
CID 46885434
N-(3-chlorophenylsulfonyl)-3-(1-(naphthalen-2-ylmethyl)-2-oxoindolin-7-yl)acrylamide
CID 46885501
N-(3-chlorophenylsulfonyl)-3-(3-methyl-1-(naphthalen-2-ylmethyl)-2-oxoindolin-7-yl)acrylamide
CID 46885732
N-(3,4-dichlorophenylsulfonyl)-3-(3-methyl-1-(naphthalen-2-ylmethyl)-2-oxoindolin-7-yl)acrylamide
CID 46885733
N-(3-chlorophenylsulfonyl)-3-(3,3-difluoro-1-(naphthalen-2-ylmethyl)-2-oxoindolin-7-yl)acrylamide
CID 46885984
1-Methyl-2-oxo-1,2-dihydro-benzo[cd]indole-6-sulfonic acid phenethyl-amide
CID 1094909
4-chloro-N-(2-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinolin-8-yl)benzenesulfonamide
CID 7161332

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide (CID 1395662) is 4-chloro-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide is CCN1C(=O)c2cccc3c(NS(=O)(=O)c4ccc(Cl)cc4)ccc1c23.
What is the InChIKey of 4-chloro-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide?
The InChIKey is DKLHCGKMWFTIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O3S/c1-2-22-17-11-10-16(14-4-3-5-15(18(14)17)19(22)23)21-26(24,25)13-8-6-12(20)7-9-13/h3-11,21H,2H2,1H3.
What are the key properties of 4-chloro-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide?
4-chloro-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide has a molecular weight of 386.86 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide is sourced from PubChem (CID 1395662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).