1-(9-ethylcarbazol-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine

C25H25N3O2S — CID 4570449

IUPAC1-(9-ethylcarbazol-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine
SMILESCCn1c2ccccc2c2cc(/C=N/c3ccc(S(=O)(=O)N4CCCC4)cc3)ccc21
InChIInChI=1S/C25H25N3O2S/c1-2-28-24-8-4-3-7-22(24)23-17-19(9-14-25(23)28)18-26-20-10-12-21(13-11-20)31(29,30)27-15-5-6-16-27/h3-4,7-14,17-18H,2,5-6,15-16H2,1H3/b26-18+
InChIKeyXLLPTQINUBTCAX-NLRVBDNBSA-N
MW431.56 g/mol
LogP5.35
Rot. Bonds5

About 1-(9-ethylcarbazol-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine

1-(9-ethylcarbazol-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine (PubChem CID 4570449) has the molecular formula C25H25N3O2S and a molecular weight of 431.56 g/mol. Its IUPAC name is 1-(9-ethylcarbazol-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine.

Molecular Properties

Compound Name1-(9-ethylcarbazol-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine
PubChem CID4570449
Molecular FormulaC25H25N3O2S
Molecular Weight431.56 g/mol
Exact Mass431.17
IUPAC Name1-(9-ethylcarbazol-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine
SMILESCCn1c2ccccc2c2cc(/C=N/c3ccc(S(=O)(=O)N4CCCC4)cc3)ccc21
InChIInChI=1S/C25H25N3O2S/c1-2-28-24-8-4-3-7-22(24)23-17-19(9-14-25(23)28)18-26-20-10-12-21(13-11-20)31(29,30)27-15-5-6-16-27/h3-4,7-14,17-18H,2,5-6,15-16H2,1H3/b26-18+
InChIKeyXLLPTQINUBTCAX-NLRVBDNBSA-N
XLogP5.35
TPSA54.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.56
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-(9-ethylcarbazol-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(9-ethylcarbazol-3-yl)methylideneamino]-N,N-dimethylaniline
CID 12752582
1-[(4-pyrrolidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol
CID 5178626
1-(4-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine
CID 969315
1-(3,4-difluorophenyl)-N-(9-ethylcarbazol-3-yl)methanimine
CID 23989157
N-(9-ethylcarbazol-3-yl)-1-(3-methylphenyl)methanimine
CID 12752584
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-methoxyphenyl)methanimine
CID 4511187
4-[(2Z)-2-[(9-ethylcarbazol-3-yl)methylidene]hydrazinyl]benzenesulfonamide
CID 25353158
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(3-nitrophenyl)methanimine
CID 4511190
N-[(9-ethylcarbazol-3-yl)methylideneamino]-N,4-dimethylbenzenesulfonamide
CID 23960642
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(3-phenylmethoxyphenyl)methanimine
CID 4511482
1-(2-methylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)methanimine
CID 910303
1-(1H-indol-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine
CID 135719312

Frequently Asked Questions

What is the IUPAC name of 1-(9-ethylcarbazol-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine?
The IUPAC name of 1-(9-ethylcarbazol-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine (CID 4570449) is 1-(9-ethylcarbazol-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine.
What is the SMILES notation for 1-(9-ethylcarbazol-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine?
The canonical SMILES for 1-(9-ethylcarbazol-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine is CCn1c2ccccc2c2cc(/C=N/c3ccc(S(=O)(=O)N4CCCC4)cc3)ccc21.
What is the InChIKey of 1-(9-ethylcarbazol-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine?
The InChIKey is XLLPTQINUBTCAX-NLRVBDNBSA-N. The full InChI is InChI=1S/C25H25N3O2S/c1-2-28-24-8-4-3-7-22(24)23-17-19(9-14-25(23)28)18-26-20-10-12-21(13-11-20)31(29,30)27-15-5-6-16-27/h3-4,7-14,17-18H,2,5-6,15-16H2,1H3/b26-18+.
What are the key properties of 1-(9-ethylcarbazol-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine?
1-(9-ethylcarbazol-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine has a molecular weight of 431.56 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-ethylcarbazol-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine is sourced from PubChem (CID 4570449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).