N-(4-chlorophenyl)-N-[2-hydroxy-3-[3-[(E)-hydroxyiminomethyl]indol-1-yl]propyl]methanesulfonamide

C19H20ClN3O4S — CID 18590164

IUPACN-(4-chlorophenyl)-N-[2-hydroxy-3-[3-[(E)-hydroxyiminomethyl]indol-1-yl]propyl]methanesulfonamide
SMILESCS(=O)(=O)N(CC(O)Cn1cc(/C=N/O)c2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClN3O4S/c1-28(26,27)23(16-8-6-15(20)7-9-16)13-17(24)12-22-11-14(10-21-25)18-4-2-3-5-19(18)22/h2-11,17,24-25H,12-13H2,1H3/b21-10+
InChIKeyWESHPYSURMLHQO-UFFVCSGVSA-N
MW421.91 g/mol
LogP2.93
Rot. Bonds7

About N-(4-chlorophenyl)-N-[2-hydroxy-3-[3-[(E)-hydroxyiminomethyl]indol-1-yl]propyl]methanesulfonamide

N-(4-chlorophenyl)-N-[2-hydroxy-3-[3-[(E)-hydroxyiminomethyl]indol-1-yl]propyl]methanesulfonamide (PubChem CID 18590164) has the molecular formula C19H20ClN3O4S and a molecular weight of 421.91 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-[2-hydroxy-3-[3-[(E)-hydroxyiminomethyl]indol-1-yl]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-[2-hydroxy-3-[3-[(E)-hydroxyiminomethyl]indol-1-yl]propyl]methanesulfonamide
PubChem CID18590164
Molecular FormulaC19H20ClN3O4S
Molecular Weight421.91 g/mol
Exact Mass421.09
IUPAC NameN-(4-chlorophenyl)-N-[2-hydroxy-3-[3-[(E)-hydroxyiminomethyl]indol-1-yl]propyl]methanesulfonamide
SMILESCS(=O)(=O)N(CC(O)Cn1cc(/C=N/O)c2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClN3O4S/c1-28(26,27)23(16-8-6-15(20)7-9-16)13-17(24)12-22-11-14(10-21-25)18-4-2-3-5-19(18)22/h2-11,17,24-25H,12-13H2,1H3/b21-10+
InChIKeyWESHPYSURMLHQO-UFFVCSGVSA-N
XLogP2.93
TPSA95.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.91
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(4-chlorophenyl)-N-[2-hydroxy-3-[3-[(E)-hydroxyiminomethyl]indol-1-yl]propyl]methanesulfonamide 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-chloro-N-(furan-2-ylmethyl)-N-[2-hydroxy-3-[3-[(E)-hydroxyiminomethyl]indol-1-yl]propyl]benzenesulfonamide
CID 18590176
1-[3-[(Z)-hydroxyiminomethyl]indol-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 18590376
2-[[2-hydroxy-3-[3-[(E)-hydroxyiminomethyl]indol-1-yl]propyl]amino]butanoic acid
CID 71683435
N-(4-aminophenyl)-N-(3-carbazol-9-yl-2-hydroxypropyl)methanesulfonamide
CID 123344434
N-[(2R)-3-(3-formylindol-1-yl)-2-hydroxypropyl]-N,4-dimethylbenzenesulfonamide
CID 40542239
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]hydroxylamine
CID 3972019
N-[3-(3-formylindol-1-yl)-2-hydroxypropyl]-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 18560750
N-(2-hydroxy-3-piperidin-1-ylpropyl)-N-phenylmethanesulfonamide
CID 90941820
N-(4-chlorophenyl)-2-[3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]acetamide
CID 73346537
1-[(2R)-2-hydroxy-3-(2,4,6-trimethylphenoxy)propyl]indole-3-carbaldehyde
CID 40542280
2-[3-(hydroxyiminomethyl)indol-1-yl]-N-(2-methylphenyl)acetamide
CID 154701184
tert-butyl-[(2S)-3-(3-formylindol-1-yl)-2-hydroxypropyl]azanium
CID 2147197

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-[2-hydroxy-3-[3-[(E)-hydroxyiminomethyl]indol-1-yl]propyl]methanesulfonamide?
The IUPAC name of N-(4-chlorophenyl)-N-[2-hydroxy-3-[3-[(E)-hydroxyiminomethyl]indol-1-yl]propyl]methanesulfonamide (CID 18590164) is N-(4-chlorophenyl)-N-[2-hydroxy-3-[3-[(E)-hydroxyiminomethyl]indol-1-yl]propyl]methanesulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-[2-hydroxy-3-[3-[(E)-hydroxyiminomethyl]indol-1-yl]propyl]methanesulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-N-[2-hydroxy-3-[3-[(E)-hydroxyiminomethyl]indol-1-yl]propyl]methanesulfonamide is CS(=O)(=O)N(CC(O)Cn1cc(/C=N/O)c2ccccc21)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N-[2-hydroxy-3-[3-[(E)-hydroxyiminomethyl]indol-1-yl]propyl]methanesulfonamide?
The InChIKey is WESHPYSURMLHQO-UFFVCSGVSA-N. The full InChI is InChI=1S/C19H20ClN3O4S/c1-28(26,27)23(16-8-6-15(20)7-9-16)13-17(24)12-22-11-14(10-21-25)18-4-2-3-5-19(18)22/h2-11,17,24-25H,12-13H2,1H3/b21-10+.
What are the key properties of N-(4-chlorophenyl)-N-[2-hydroxy-3-[3-[(E)-hydroxyiminomethyl]indol-1-yl]propyl]methanesulfonamide?
N-(4-chlorophenyl)-N-[2-hydroxy-3-[3-[(E)-hydroxyiminomethyl]indol-1-yl]propyl]methanesulfonamide has a molecular weight of 421.91 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-[2-hydroxy-3-[3-[(E)-hydroxyiminomethyl]indol-1-yl]propyl]methanesulfonamide is sourced from PubChem (CID 18590164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).