ethyl 9-methyl-4-(4-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]carbazole-2-carboxylate

C30H28N2O4S — CID 166175368

IUPACethyl 9-methyl-4-(4-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]carbazole-2-carboxylate
SMILESCCOC(=O)c1cc2c(c(-c3ccc(C)cc3)c1NS(=O)(=O)c1ccc(C)cc1)c1ccccc1n2C
InChIInChI=1S/C30H28N2O4S/c1-5-36-30(33)24-18-26-28(23-8-6-7-9-25(23)32(26)4)27(21-14-10-19(2)11-15-21)29(24)31-37(34,35)22-16-12-20(3)13-17-22/h6-18,31H,5H2,1-4H3
InChIKeyZCKJQKZXYDRMLU-UHFFFAOYSA-N
MW512.63 g/mol
LogP6.59
Rot. Bonds6

About ethyl 9-methyl-4-(4-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]carbazole-2-carboxylate

ethyl 9-methyl-4-(4-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]carbazole-2-carboxylate (PubChem CID 166175368) has the molecular formula C30H28N2O4S and a molecular weight of 512.63 g/mol. Its IUPAC name is ethyl 9-methyl-4-(4-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]carbazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 9-methyl-4-(4-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]carbazole-2-carboxylate
PubChem CID166175368
Molecular FormulaC30H28N2O4S
Molecular Weight512.63 g/mol
Exact Mass512.18
IUPAC Nameethyl 9-methyl-4-(4-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]carbazole-2-carboxylate
SMILESCCOC(=O)c1cc2c(c(-c3ccc(C)cc3)c1NS(=O)(=O)c1ccc(C)cc1)c1ccccc1n2C
InChIInChI=1S/C30H28N2O4S/c1-5-36-30(33)24-18-26-28(23-8-6-7-9-25(23)32(26)4)27(21-14-10-19(2)11-15-21)29(24)31-37(34,35)22-16-12-20(3)13-17-22/h6-18,31H,5H2,1-4H3
InChIKeyZCKJQKZXYDRMLU-UHFFFAOYSA-N
XLogP6.59
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.63
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoate
CID 150114167
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CID 154634960
ethyl 2-[1,4-bis[(4-methylphenyl)sulfonylamino]naphthalen-2-yl]-3-oxobutanoate
CID 2835145
methyl 1-[(4-methylphenyl)sulfonylamino]naphthalene-2-carboxylate
CID 169372846
ethyl 5-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate
CID 139957908
1-methyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-oxoquinoline-4-carboxamide
CID 55787470
ethyl 4-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzoate
CID 169371543
ethyl 2-(azepan-1-yl)-9-methylcarbazole-3-carboxylate
CID 43841999
ethyl 2-fluoro-4-(10-methyl-9-oxoacridin-3-yl)benzoate
CID 24792645
ethyl 6-methyl-11-(4-methylphenyl)sulfonylbenzo[a]carbazole-5-carboxylate
CID 132598521
ethyl 5-[[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]sulfonylamino]-1-methylpyrazole-4-carboxylate
CID 108782504
sodium 3-ethoxycarbonyl-1-methyl-2-oxoquinolin-4-olate
CID 134113066

Frequently Asked Questions

What is the IUPAC name of ethyl 9-methyl-4-(4-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]carbazole-2-carboxylate?
The IUPAC name of ethyl 9-methyl-4-(4-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]carbazole-2-carboxylate (CID 166175368) is ethyl 9-methyl-4-(4-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]carbazole-2-carboxylate.
What is the SMILES notation for ethyl 9-methyl-4-(4-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]carbazole-2-carboxylate?
The canonical SMILES for ethyl 9-methyl-4-(4-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]carbazole-2-carboxylate is CCOC(=O)c1cc2c(c(-c3ccc(C)cc3)c1NS(=O)(=O)c1ccc(C)cc1)c1ccccc1n2C.
What is the InChIKey of ethyl 9-methyl-4-(4-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]carbazole-2-carboxylate?
The InChIKey is ZCKJQKZXYDRMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O4S/c1-5-36-30(33)24-18-26-28(23-8-6-7-9-25(23)32(26)4)27(21-14-10-19(2)11-15-21)29(24)31-37(34,35)22-16-12-20(3)13-17-22/h6-18,31H,5H2,1-4H3.
What are the key properties of ethyl 9-methyl-4-(4-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]carbazole-2-carboxylate?
ethyl 9-methyl-4-(4-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]carbazole-2-carboxylate has a molecular weight of 512.63 g/mol, XLogP of 6.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 9-methyl-4-(4-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]carbazole-2-carboxylate is sourced from PubChem (CID 166175368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).