2-methoxy-N-[1-methyl-4-(1-methylpyrazol-4-yl)-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide

C23H20N4O4S — CID 155518530

IUPAC2-methoxy-N-[1-methyl-4-(1-methylpyrazol-4-yl)-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1ccc2c3c(cc(-c4cnn(C)c4)cc13)C(=O)N2C
InChIInChI=1S/C23H20N4O4S/c1-26-13-15(12-24-26)14-10-16-18(8-9-19-22(16)17(11-14)23(28)27(19)2)25-32(29,30)21-7-5-4-6-20(21)31-3/h4-13,25H,1-3H3
InChIKeyFPPOOEQSRLWFBN-UHFFFAOYSA-N
MW448.50 g/mol
LogP3.64
Rot. Bonds5

About 2-methoxy-N-[1-methyl-4-(1-methylpyrazol-4-yl)-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide

2-methoxy-N-[1-methyl-4-(1-methylpyrazol-4-yl)-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide (PubChem CID 155518530) has the molecular formula C23H20N4O4S and a molecular weight of 448.50 g/mol. Its IUPAC name is 2-methoxy-N-[1-methyl-4-(1-methylpyrazol-4-yl)-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[1-methyl-4-(1-methylpyrazol-4-yl)-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide
PubChem CID155518530
Molecular FormulaC23H20N4O4S
Molecular Weight448.50 g/mol
Exact Mass448.12
IUPAC Name2-methoxy-N-[1-methyl-4-(1-methylpyrazol-4-yl)-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1ccc2c3c(cc(-c4cnn(C)c4)cc13)C(=O)N2C
InChIInChI=1S/C23H20N4O4S/c1-26-13-15(12-24-26)14-10-16-18(8-9-19-22(16)17(11-14)23(28)27(19)2)25-32(29,30)21-7-5-4-6-20(21)31-3/h4-13,25H,1-3H3
InChIKeyFPPOOEQSRLWFBN-UHFFFAOYSA-N
XLogP3.64
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[4-(1-cyclopropylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]-2-methoxybenzenesulfonamide
CID 155519105
N-(6-imidazol-1-yl-2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl)-2-methoxybenzenesulfonamide
CID 155564141
N-[4-[3-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]piperazin-1-yl]-3-oxopropyl]-1-methyl-2-oxobenzo[cd]indol-6-yl]-2-methoxybenzenesulfonamide
CID 155682744
N-[2-methoxy-5-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide
CID 156782659
N-(2-chlorophenyl)-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide
CID 15944578
2-methoxy-3-[(2-methoxyphenyl)sulfonylamino]benzenesulfonamide
CID 168867113
2-ethoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
CID 121196538
5-ethyl-2-methoxy-N-[5-(1-methylpyrazol-4-yl)-1,2-benzoxazol-3-yl]benzenesulfonamide
CID 146289029
N-(2-bromo-4-methylphenyl)-2-methoxybenzenesulfonamide
CID 47104436
N-(4-iodo-2-methylphenyl)-2-methoxybenzenesulfonamide
CID 47104373
N-(2-bromophenyl)-2-methoxybenzenesulfonamide
CID 47104314
4,6-dimethoxy-1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-disulfonamide
CID 17349147

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[1-methyl-4-(1-methylpyrazol-4-yl)-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide?
The IUPAC name of 2-methoxy-N-[1-methyl-4-(1-methylpyrazol-4-yl)-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide (CID 155518530) is 2-methoxy-N-[1-methyl-4-(1-methylpyrazol-4-yl)-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-[1-methyl-4-(1-methylpyrazol-4-yl)-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-[1-methyl-4-(1-methylpyrazol-4-yl)-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide is COc1ccccc1S(=O)(=O)Nc1ccc2c3c(cc(-c4cnn(C)c4)cc13)C(=O)N2C.
What is the InChIKey of 2-methoxy-N-[1-methyl-4-(1-methylpyrazol-4-yl)-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide?
The InChIKey is FPPOOEQSRLWFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4S/c1-26-13-15(12-24-26)14-10-16-18(8-9-19-22(16)17(11-14)23(28)27(19)2)25-32(29,30)21-7-5-4-6-20(21)31-3/h4-13,25H,1-3H3.
What are the key properties of 2-methoxy-N-[1-methyl-4-(1-methylpyrazol-4-yl)-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide?
2-methoxy-N-[1-methyl-4-(1-methylpyrazol-4-yl)-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide has a molecular weight of 448.50 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[1-methyl-4-(1-methylpyrazol-4-yl)-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide is sourced from PubChem (CID 155518530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).