4-[(3,5-dichloro-2-methoxyphenyl)methylamino]benzenesulfonamide

C14H14Cl2N2O3S — CID 1017976

IUPAC4-[(3,5-dichloro-2-methoxyphenyl)methylamino]benzenesulfonamide
SMILESCOc1c(Cl)cc(Cl)cc1CNc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H14Cl2N2O3S/c1-21-14-9(6-10(15)7-13(14)16)8-18-11-2-4-12(5-3-11)22(17,19)20/h2-7,18H,8H2,1H3,(H2,17,19,20)
InChIKeyZYWPQIGITANELY-UHFFFAOYSA-N
MW361.25 g/mol
LogP3.26
Rot. Bonds5

About 4-[(3,5-dichloro-2-methoxyphenyl)methylamino]benzenesulfonamide

4-[(3,5-dichloro-2-methoxyphenyl)methylamino]benzenesulfonamide (PubChem CID 1017976) has the molecular formula C14H14Cl2N2O3S and a molecular weight of 361.25 g/mol. Its IUPAC name is 4-[(3,5-dichloro-2-methoxyphenyl)methylamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(3,5-dichloro-2-methoxyphenyl)methylamino]benzenesulfonamide
PubChem CID1017976
Molecular FormulaC14H14Cl2N2O3S
Molecular Weight361.25 g/mol
Exact Mass360.01
IUPAC Name4-[(3,5-dichloro-2-methoxyphenyl)methylamino]benzenesulfonamide
SMILESCOc1c(Cl)cc(Cl)cc1CNc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H14Cl2N2O3S/c1-21-14-9(6-10(15)7-13(14)16)8-18-11-2-4-12(5-3-11)22(17,19)20/h2-7,18H,8H2,1H3,(H2,17,19,20)
InChIKeyZYWPQIGITANELY-UHFFFAOYSA-N
XLogP3.26
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.25
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dichloro-2-methoxyphenyl)methylamino]benzenesulfonamide?
The IUPAC name of 4-[(3,5-dichloro-2-methoxyphenyl)methylamino]benzenesulfonamide (CID 1017976) is 4-[(3,5-dichloro-2-methoxyphenyl)methylamino]benzenesulfonamide.
What is the SMILES notation for 4-[(3,5-dichloro-2-methoxyphenyl)methylamino]benzenesulfonamide?
The canonical SMILES for 4-[(3,5-dichloro-2-methoxyphenyl)methylamino]benzenesulfonamide is COc1c(Cl)cc(Cl)cc1CNc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[(3,5-dichloro-2-methoxyphenyl)methylamino]benzenesulfonamide?
The InChIKey is ZYWPQIGITANELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O3S/c1-21-14-9(6-10(15)7-13(14)16)8-18-11-2-4-12(5-3-11)22(17,19)20/h2-7,18H,8H2,1H3,(H2,17,19,20).
What are the key properties of 4-[(3,5-dichloro-2-methoxyphenyl)methylamino]benzenesulfonamide?
4-[(3,5-dichloro-2-methoxyphenyl)methylamino]benzenesulfonamide has a molecular weight of 361.25 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dichloro-2-methoxyphenyl)methylamino]benzenesulfonamide is sourced from PubChem (CID 1017976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).