9-ethyl-3-(4-nitrophenyl)sulfonylcarbazole

C20H16N2O4S — CID 134312293

IUPAC9-ethyl-3-(4-nitrophenyl)sulfonylcarbazole
SMILESCCn1c2ccccc2c2cc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc21
InChIInChI=1S/C20H16N2O4S/c1-2-21-19-6-4-3-5-17(19)18-13-16(11-12-20(18)21)27(25,26)15-9-7-14(8-10-15)22(23)24/h3-13H,2H2,1H3
InChIKeyXTDMJNFPGLKCSR-UHFFFAOYSA-N
MW380.43 g/mol
LogP4.56
Rot. Bonds4

About 9-ethyl-3-(4-nitrophenyl)sulfonylcarbazole

9-ethyl-3-(4-nitrophenyl)sulfonylcarbazole (PubChem CID 134312293) has the molecular formula C20H16N2O4S and a molecular weight of 380.43 g/mol. Its IUPAC name is 9-ethyl-3-(4-nitrophenyl)sulfonylcarbazole.

Molecular Properties

Compound Name9-ethyl-3-(4-nitrophenyl)sulfonylcarbazole
PubChem CID134312293
Molecular FormulaC20H16N2O4S
Molecular Weight380.43 g/mol
Exact Mass380.08
IUPAC Name9-ethyl-3-(4-nitrophenyl)sulfonylcarbazole
SMILESCCn1c2ccccc2c2cc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc21
InChIInChI=1S/C20H16N2O4S/c1-2-21-19-6-4-3-5-17(19)18-13-16(11-12-20(18)21)27(25,26)15-9-7-14(8-10-15)22(23)24/h3-13H,2H2,1H3
InChIKeyXTDMJNFPGLKCSR-UHFFFAOYSA-N
XLogP4.56
TPSA82.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

9-(carbazol-9-ylmethyl)-3-nitrocarbazole
CID 15716134
N-[(9-ethylcarbazol-3-yl)methyl]-N'-(4-nitrophenyl)ethane-1,2-diamine
CID 4722587
N-(9-ethylcarbazol-3-yl)-4-methyl-N-[3-(4-nitrophenyl)prop-2-ynyl]benzenesulfonamide
CID 53247763
9-ethyl-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]carbazole
CID 7060320
5-ethyl-1-(4-nitrophenyl)-2-oxopyrido[3,2-b]indole-3-carbonitrile
CID 10066953
9-ethyl-3-(2-nitroethenyl)carbazole
CID 134120826
3-nitro-9-(4-nitrophenyl)carbazole
CID 23847398
9-ethyl-3-(9-ethylcarbazol-3-yl)-4-nitrocarbazole
CID 139069281
tert-butyl-(9-ethylcarbazol-3-yl)-(2-methyl-5-nitrophenyl)imino-pyrrolidin-1-yl-λ5-phosphane
CID 5187692
trimethyl-[3-(3-nitrocarbazol-9-yl)propyl]silane
CID 174964795
N,N-dimethyl-3-(3-nitrocarbazol-9-yl)propan-1-amine
CID 15621619
3-nitro-9-(prop-2-enoxymethyl)carbazole
CID 12067576

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-3-(4-nitrophenyl)sulfonylcarbazole?
The IUPAC name of 9-ethyl-3-(4-nitrophenyl)sulfonylcarbazole (CID 134312293) is 9-ethyl-3-(4-nitrophenyl)sulfonylcarbazole.
What is the SMILES notation for 9-ethyl-3-(4-nitrophenyl)sulfonylcarbazole?
The canonical SMILES for 9-ethyl-3-(4-nitrophenyl)sulfonylcarbazole is CCn1c2ccccc2c2cc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc21.
What is the InChIKey of 9-ethyl-3-(4-nitrophenyl)sulfonylcarbazole?
The InChIKey is XTDMJNFPGLKCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4S/c1-2-21-19-6-4-3-5-17(19)18-13-16(11-12-20(18)21)27(25,26)15-9-7-14(8-10-15)22(23)24/h3-13H,2H2,1H3.
What are the key properties of 9-ethyl-3-(4-nitrophenyl)sulfonylcarbazole?
9-ethyl-3-(4-nitrophenyl)sulfonylcarbazole has a molecular weight of 380.43 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-3-(4-nitrophenyl)sulfonylcarbazole is sourced from PubChem (CID 134312293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).