N-(4-bromophenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide

C19H15BrN2O3S — CID 15944466

IUPACN-(4-bromophenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide
SMILESCCN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccc(Br)cc4)ccc1c23
InChIInChI=1S/C19H15BrN2O3S/c1-2-22-16-10-11-17(14-4-3-5-15(18(14)16)19(22)23)26(24,25)21-13-8-6-12(20)7-9-13/h3-11,21H,2H2,1H3
InChIKeyFVNAIQNLRZVKGV-UHFFFAOYSA-N
MW431.31 g/mol
LogP4.38
Rot. Bonds4

About N-(4-bromophenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide

N-(4-bromophenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide (PubChem CID 15944466) has the molecular formula C19H15BrN2O3S and a molecular weight of 431.31 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide
PubChem CID15944466
Molecular FormulaC19H15BrN2O3S
Molecular Weight431.31 g/mol
Exact Mass430.00
IUPAC NameN-(4-bromophenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide
SMILESCCN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccc(Br)cc4)ccc1c23
InChIInChI=1S/C19H15BrN2O3S/c1-2-22-16-10-11-17(14-4-3-5-15(18(14)16)19(22)23)26(24,25)21-13-8-6-12(20)7-9-13/h3-11,21H,2H2,1H3
InChIKeyFVNAIQNLRZVKGV-UHFFFAOYSA-N
XLogP4.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.31
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-N-(3-methylphenyl)-2-oxobenzo[cd]indole-6-sulfonamide
CID 15944531
1-ethyl-2-oxo-N-(3-phenylphenyl)benzo[cd]indole-6-sulfonamide
CID 90670353
1-ethyl-2-oxo-N-pyridin-3-ylbenzo[cd]indole-6-sulfonamide
CID 118197299
1-ethyl-2-oxo-N-(3,4,5-trimethoxyphenyl)benzo[cd]indole-6-sulfonamide
CID 118197350
1-ethyl-2-oxo-N-(2,4,6-trimethylphenyl)benzo[cd]indole-6-sulfonamide
CID 15944491
1-ethyl-N-[(4-methylphenyl)methyl]-2-oxobenzo[cd]indole-6-sulfonamide
CID 118200153
N-(2,5-dimethoxyphenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide
CID 1244587
N-[(4-tert-butylphenyl)methyl]-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide
CID 118200173
N-(3,5-dimethylphenyl)-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide
CID 15944488
1-ethyl-2-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzo[cd]indole-6-sulfonamide
CID 118200169
1-ethyl-N-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indole-6-sulfonamide
CID 90654880
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide
CID 6611008

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide?
The IUPAC name of N-(4-bromophenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide (CID 15944466) is N-(4-bromophenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide.
What is the SMILES notation for N-(4-bromophenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide?
The canonical SMILES for N-(4-bromophenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide is CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccc(Br)cc4)ccc1c23.
What is the InChIKey of N-(4-bromophenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide?
The InChIKey is FVNAIQNLRZVKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN2O3S/c1-2-22-16-10-11-17(14-4-3-5-15(18(14)16)19(22)23)26(24,25)21-13-8-6-12(20)7-9-13/h3-11,21H,2H2,1H3.
What are the key properties of N-(4-bromophenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide?
N-(4-bromophenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide has a molecular weight of 431.31 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 15944466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).