N-(3-carbazol-9-ylpropyl)-N-ethyl-2-nitrobenzenesulfonamide

C23H23N3O4S — CID 67368093

IUPACN-(3-carbazol-9-ylpropyl)-N-ethyl-2-nitrobenzenesulfonamide
SMILESCCN(CCCn1c2ccccc2c2ccccc21)S(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C23H23N3O4S/c1-2-24(31(29,30)23-15-8-7-14-22(23)26(27)28)16-9-17-25-20-12-5-3-10-18(20)19-11-4-6-13-21(19)25/h3-8,10-15H,2,9,16-17H2,1H3
InChIKeyVURKZJMRPIYZKA-UHFFFAOYSA-N
MW437.52 g/mol
LogP4.80
Rot. Bonds8

About N-(3-carbazol-9-ylpropyl)-N-ethyl-2-nitrobenzenesulfonamide

N-(3-carbazol-9-ylpropyl)-N-ethyl-2-nitrobenzenesulfonamide (PubChem CID 67368093) has the molecular formula C23H23N3O4S and a molecular weight of 437.52 g/mol. Its IUPAC name is N-(3-carbazol-9-ylpropyl)-N-ethyl-2-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-carbazol-9-ylpropyl)-N-ethyl-2-nitrobenzenesulfonamide
PubChem CID67368093
Molecular FormulaC23H23N3O4S
Molecular Weight437.52 g/mol
Exact Mass437.14
IUPAC NameN-(3-carbazol-9-ylpropyl)-N-ethyl-2-nitrobenzenesulfonamide
SMILESCCN(CCCn1c2ccccc2c2ccccc21)S(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C23H23N3O4S/c1-2-24(31(29,30)23-15-8-7-14-22(23)26(27)28)16-9-17-25-20-12-5-3-10-18(20)19-11-4-6-13-21(19)25/h3-8,10-15H,2,9,16-17H2,1H3
InChIKeyVURKZJMRPIYZKA-UHFFFAOYSA-N
XLogP4.80
TPSA85.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 54.80
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

2-nitro-N-[3-[(2-nitrophenyl)sulfonyl-[2-[(2-nitrophenyl)sulfonyl-[3-[(2-nitrophenyl)sulfonylamino]propyl]amino]ethyl]amino]propyl]benzenesulfonamide
CID 11104964
4-[(1-butyl-2-hydroxyindol-3-yl)diazenyl]-N,N-diethyl-3-nitrobenzenesulfonamide
CID 3252841
(2S)-2-aminobutan-1-ol;N-(2-hydroxyethyl)-N-(3-hydroxypropyl)-2-nitrobenzenesulfonamide
CID 161349871
N-ethyl-N-[(4-methoxyphenyl)methyl]-2-nitrobenzenesulfonamide
CID 70293509
N-methyl-2-nitro-N-propylbenzenesulfonamide
CID 86867161
N,N-dimethyl-3-(3-nitrocarbazol-9-yl)propan-1-amine
CID 15621619
3-[ethyl-(2-methyl-3-nitrophenyl)sulfonylamino]propanoic acid
CID 61007014
N,N-bis[(2S)-butan-2-yl]-2-nitrobenzenesulfonamide
CID 845097
N,N-di(butan-2-yl)-2-nitrobenzenesulfonamide
CID 2933512
2-[ethyl-(2-nitrophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 2424003
2-[2-aminoethyl-(2-nitrophenyl)sulfonylamino]acetic acid
CID 178134973
N-(3-bromopropyl)-2-nitro-N-(3-phenylpropyl)benzenesulfonamide
CID 23110493

Frequently Asked Questions

What is the IUPAC name of N-(3-carbazol-9-ylpropyl)-N-ethyl-2-nitrobenzenesulfonamide?
The IUPAC name of N-(3-carbazol-9-ylpropyl)-N-ethyl-2-nitrobenzenesulfonamide (CID 67368093) is N-(3-carbazol-9-ylpropyl)-N-ethyl-2-nitrobenzenesulfonamide.
What is the SMILES notation for N-(3-carbazol-9-ylpropyl)-N-ethyl-2-nitrobenzenesulfonamide?
The canonical SMILES for N-(3-carbazol-9-ylpropyl)-N-ethyl-2-nitrobenzenesulfonamide is CCN(CCCn1c2ccccc2c2ccccc21)S(=O)(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(3-carbazol-9-ylpropyl)-N-ethyl-2-nitrobenzenesulfonamide?
The InChIKey is VURKZJMRPIYZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S/c1-2-24(31(29,30)23-15-8-7-14-22(23)26(27)28)16-9-17-25-20-12-5-3-10-18(20)19-11-4-6-13-21(19)25/h3-8,10-15H,2,9,16-17H2,1H3.
What are the key properties of N-(3-carbazol-9-ylpropyl)-N-ethyl-2-nitrobenzenesulfonamide?
N-(3-carbazol-9-ylpropyl)-N-ethyl-2-nitrobenzenesulfonamide has a molecular weight of 437.52 g/mol, XLogP of 4.80, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbazol-9-ylpropyl)-N-ethyl-2-nitrobenzenesulfonamide is sourced from PubChem (CID 67368093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).