N-(2,5-dichlorophenyl)-N-(oxiran-2-ylmethyl)benzenesulfonamide

C15H13Cl2NO3S — CID 3133070

IUPACN-(2,5-dichlorophenyl)-N-(oxiran-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(CC1CO1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H13Cl2NO3S/c16-11-6-7-14(17)15(8-11)18(9-12-10-21-12)22(19,20)13-4-2-1-3-5-13/h1-8,12H,9-10H2
InChIKeyIPVUIJQKXFOMCB-UHFFFAOYSA-N
MW358.25 g/mol
LogP3.59
Rot. Bonds5

About N-(2,5-dichlorophenyl)-N-(oxiran-2-ylmethyl)benzenesulfonamide

N-(2,5-dichlorophenyl)-N-(oxiran-2-ylmethyl)benzenesulfonamide (PubChem CID 3133070) has the molecular formula C15H13Cl2NO3S and a molecular weight of 358.25 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-N-(oxiran-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-N-(oxiran-2-ylmethyl)benzenesulfonamide
PubChem CID3133070
Molecular FormulaC15H13Cl2NO3S
Molecular Weight358.25 g/mol
Exact Mass357.00
IUPAC NameN-(2,5-dichlorophenyl)-N-(oxiran-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(CC1CO1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H13Cl2NO3S/c16-11-6-7-14(17)15(8-11)18(9-12-10-21-12)22(19,20)13-4-2-1-3-5-13/h1-8,12H,9-10H2
InChIKeyIPVUIJQKXFOMCB-UHFFFAOYSA-N
XLogP3.59
TPSA49.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.25
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-N-(oxiran-2-ylmethyl)benzenesulfonamide?
The IUPAC name of N-(2,5-dichlorophenyl)-N-(oxiran-2-ylmethyl)benzenesulfonamide (CID 3133070) is N-(2,5-dichlorophenyl)-N-(oxiran-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-N-(oxiran-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-N-(oxiran-2-ylmethyl)benzenesulfonamide is O=S(=O)(c1ccccc1)N(CC1CO1)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-N-(oxiran-2-ylmethyl)benzenesulfonamide?
The InChIKey is IPVUIJQKXFOMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO3S/c16-11-6-7-14(17)15(8-11)18(9-12-10-21-12)22(19,20)13-4-2-1-3-5-13/h1-8,12H,9-10H2.
What are the key properties of N-(2,5-dichlorophenyl)-N-(oxiran-2-ylmethyl)benzenesulfonamide?
N-(2,5-dichlorophenyl)-N-(oxiran-2-ylmethyl)benzenesulfonamide has a molecular weight of 358.25 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-N-(oxiran-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 3133070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).