4-(3-chloropropyl)-N-[4-(cyanomethoxy)phenyl]benzenesulfonamide

C17H17ClN2O3S — CID 60621668

IUPAC4-(3-chloropropyl)-N-[4-(cyanomethoxy)phenyl]benzenesulfonamide
SMILESN#CCOc1ccc(NS(=O)(=O)c2ccc(CCCCl)cc2)cc1
InChIInChI=1S/C17H17ClN2O3S/c18-11-1-2-14-3-9-17(10-4-14)24(21,22)20-15-5-7-16(8-6-15)23-13-12-19/h3-10,20H,1-2,11,13H2
InChIKeyZMMUXJINWYHMGM-UHFFFAOYSA-N
MW364.85 g/mol
LogP3.56
Rot. Bonds8

About 4-(3-chloropropyl)-N-[4-(cyanomethoxy)phenyl]benzenesulfonamide

4-(3-chloropropyl)-N-[4-(cyanomethoxy)phenyl]benzenesulfonamide (PubChem CID 60621668) has the molecular formula C17H17ClN2O3S and a molecular weight of 364.85 g/mol. Its IUPAC name is 4-(3-chloropropyl)-N-[4-(cyanomethoxy)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(3-chloropropyl)-N-[4-(cyanomethoxy)phenyl]benzenesulfonamide
PubChem CID60621668
Molecular FormulaC17H17ClN2O3S
Molecular Weight364.85 g/mol
Exact Mass364.06
IUPAC Name4-(3-chloropropyl)-N-[4-(cyanomethoxy)phenyl]benzenesulfonamide
SMILESN#CCOc1ccc(NS(=O)(=O)c2ccc(CCCCl)cc2)cc1
InChIInChI=1S/C17H17ClN2O3S/c18-11-1-2-14-3-9-17(10-4-14)24(21,22)20-15-5-7-16(8-6-15)23-13-12-19/h3-10,20H,1-2,11,13H2
InChIKeyZMMUXJINWYHMGM-UHFFFAOYSA-N
XLogP3.56
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-chloropropyl)-N-phenylbenzenesulfonamide
CID 28719709
1-chloro-N-[4-(cyanomethoxy)phenyl]methanesulfonamide
CID 63664967
4-(2-chloroethyl)-N-(4-chlorophenyl)benzenesulfonamide
CID 43662747
4-hexyl-N-[4-(2-methylpropoxy)phenyl]benzenesulfonamide
CID 84552359
4-(2-chloroethyl)-N-(4-ethylphenyl)benzenesulfonamide
CID 28719478
N-[4-(cyanomethyl)phenyl]-4-propylbenzenesulfonamide
CID 25042511
N-[4-(cyanomethoxy)phenyl]-1,1-difluoromethanesulfonamide
CID 43175608
N-[4-(cyanomethoxy)phenyl]propane-1-sulfonamide
CID 43242609
4-(3-aminopropyl)-N-(4-chlorophenyl)benzenesulfonamide
CID 106060775
N-(4-methylphenyl)-4-prop-2-ynoxybenzenesulfonamide
CID 141457876
N-[4-(cyanomethoxy)phenyl]cyclopentanesulfonamide
CID 115606497
2-chloro-N-[4-(cyanomethoxy)phenyl]-4-methylbenzenesulfonamide
CID 32675605

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloropropyl)-N-[4-(cyanomethoxy)phenyl]benzenesulfonamide?
The IUPAC name of 4-(3-chloropropyl)-N-[4-(cyanomethoxy)phenyl]benzenesulfonamide (CID 60621668) is 4-(3-chloropropyl)-N-[4-(cyanomethoxy)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-(3-chloropropyl)-N-[4-(cyanomethoxy)phenyl]benzenesulfonamide?
The canonical SMILES for 4-(3-chloropropyl)-N-[4-(cyanomethoxy)phenyl]benzenesulfonamide is N#CCOc1ccc(NS(=O)(=O)c2ccc(CCCCl)cc2)cc1.
What is the InChIKey of 4-(3-chloropropyl)-N-[4-(cyanomethoxy)phenyl]benzenesulfonamide?
The InChIKey is ZMMUXJINWYHMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3S/c18-11-1-2-14-3-9-17(10-4-14)24(21,22)20-15-5-7-16(8-6-15)23-13-12-19/h3-10,20H,1-2,11,13H2.
What are the key properties of 4-(3-chloropropyl)-N-[4-(cyanomethoxy)phenyl]benzenesulfonamide?
4-(3-chloropropyl)-N-[4-(cyanomethoxy)phenyl]benzenesulfonamide has a molecular weight of 364.85 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloropropyl)-N-[4-(cyanomethoxy)phenyl]benzenesulfonamide is sourced from PubChem (CID 60621668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).