2,5-dichloro-4-(3-methoxy-3-methylbutoxy)benzenesulfonamide

C12H17Cl2NO4S — CID 103034443

IUPAC2,5-dichloro-4-(3-methoxy-3-methylbutoxy)benzenesulfonamide
SMILESCOC(C)(C)CCOc1cc(Cl)c(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C12H17Cl2NO4S/c1-12(2,18-3)4-5-19-10-6-9(14)11(7-8(10)13)20(15,16)17/h6-7H,4-5H2,1-3H3,(H2,15,16,17)
InChIKeyFFFQRDJORCHKGW-UHFFFAOYSA-N
MW342.24 g/mol
LogP2.83
Rot. Bonds6

About 2,5-dichloro-4-(3-methoxy-3-methylbutoxy)benzenesulfonamide

2,5-dichloro-4-(3-methoxy-3-methylbutoxy)benzenesulfonamide (PubChem CID 103034443) has the molecular formula C12H17Cl2NO4S and a molecular weight of 342.24 g/mol. Its IUPAC name is 2,5-dichloro-4-(3-methoxy-3-methylbutoxy)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-4-(3-methoxy-3-methylbutoxy)benzenesulfonamide
PubChem CID103034443
Molecular FormulaC12H17Cl2NO4S
Molecular Weight342.24 g/mol
Exact Mass341.03
IUPAC Name2,5-dichloro-4-(3-methoxy-3-methylbutoxy)benzenesulfonamide
SMILESCOC(C)(C)CCOc1cc(Cl)c(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C12H17Cl2NO4S/c1-12(2,18-3)4-5-19-10-6-9(14)11(7-8(10)13)20(15,16)17/h6-7H,4-5H2,1-3H3,(H2,15,16,17)
InChIKeyFFFQRDJORCHKGW-UHFFFAOYSA-N
XLogP2.83
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-(3-methoxy-3-methylbutoxy)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-4-(3-methoxy-3-methylbutoxy)benzenesulfonamide (CID 103034443) is 2,5-dichloro-4-(3-methoxy-3-methylbutoxy)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-4-(3-methoxy-3-methylbutoxy)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-4-(3-methoxy-3-methylbutoxy)benzenesulfonamide is COC(C)(C)CCOc1cc(Cl)c(S(N)(=O)=O)cc1Cl.
What is the InChIKey of 2,5-dichloro-4-(3-methoxy-3-methylbutoxy)benzenesulfonamide?
The InChIKey is FFFQRDJORCHKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO4S/c1-12(2,18-3)4-5-19-10-6-9(14)11(7-8(10)13)20(15,16)17/h6-7H,4-5H2,1-3H3,(H2,15,16,17).
What are the key properties of 2,5-dichloro-4-(3-methoxy-3-methylbutoxy)benzenesulfonamide?
2,5-dichloro-4-(3-methoxy-3-methylbutoxy)benzenesulfonamide has a molecular weight of 342.24 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-(3-methoxy-3-methylbutoxy)benzenesulfonamide is sourced from PubChem (CID 103034443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).