N-(2,5-dichlorophenyl)-4-methyl-N-(oxiran-2-ylmethyl)benzenesulfonamide

C16H15Cl2NO3S — CID 3133071

IUPACN-(2,5-dichlorophenyl)-4-methyl-N-(oxiran-2-ylmethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CC2CO2)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C16H15Cl2NO3S/c1-11-2-5-14(6-3-11)23(20,21)19(9-13-10-22-13)16-8-12(17)4-7-15(16)18/h2-8,13H,9-10H2,1H3
InChIKeyMQBXVORPPVAXHF-UHFFFAOYSA-N
MW372.27 g/mol
LogP3.90
Rot. Bonds5

About N-(2,5-dichlorophenyl)-4-methyl-N-(oxiran-2-ylmethyl)benzenesulfonamide

N-(2,5-dichlorophenyl)-4-methyl-N-(oxiran-2-ylmethyl)benzenesulfonamide (PubChem CID 3133071) has the molecular formula C16H15Cl2NO3S and a molecular weight of 372.27 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-4-methyl-N-(oxiran-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-4-methyl-N-(oxiran-2-ylmethyl)benzenesulfonamide
PubChem CID3133071
Molecular FormulaC16H15Cl2NO3S
Molecular Weight372.27 g/mol
Exact Mass371.01
IUPAC NameN-(2,5-dichlorophenyl)-4-methyl-N-(oxiran-2-ylmethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CC2CO2)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C16H15Cl2NO3S/c1-11-2-5-14(6-3-11)23(20,21)19(9-13-10-22-13)16-8-12(17)4-7-15(16)18/h2-8,13H,9-10H2,1H3
InChIKeyMQBXVORPPVAXHF-UHFFFAOYSA-N
XLogP3.90
TPSA49.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 53.90
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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Related Compounds

CID 3133070
CID 3133070
CID 3133063
CID 3133063
CID 6603010
CID 6603010
CID 661280
CID 661280
CID 170730191
CID 170730191
CID 170730204
CID 170730204
CID 2806964
CID 2806964
CID 284990
CID 284990
CID 1004330
CID 1004330
CID 1106402
CID 1106402
CID 1296284
CID 1296284
CID 1315337
CID 1315337

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-4-methyl-N-(oxiran-2-ylmethyl)benzenesulfonamide?
The IUPAC name of N-(2,5-dichlorophenyl)-4-methyl-N-(oxiran-2-ylmethyl)benzenesulfonamide (CID 3133071) is N-(2,5-dichlorophenyl)-4-methyl-N-(oxiran-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-4-methyl-N-(oxiran-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-4-methyl-N-(oxiran-2-ylmethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(CC2CO2)c2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of N-(2,5-dichlorophenyl)-4-methyl-N-(oxiran-2-ylmethyl)benzenesulfonamide?
The InChIKey is MQBXVORPPVAXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO3S/c1-11-2-5-14(6-3-11)23(20,21)19(9-13-10-22-13)16-8-12(17)4-7-15(16)18/h2-8,13H,9-10H2,1H3.
What are the key properties of N-(2,5-dichlorophenyl)-4-methyl-N-(oxiran-2-ylmethyl)benzenesulfonamide?
N-(2,5-dichlorophenyl)-4-methyl-N-(oxiran-2-ylmethyl)benzenesulfonamide has a molecular weight of 372.27 g/mol, XLogP of 3.90, 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)-4-methyl-N-(oxiran-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 3133071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).