3-[(dimethylamino)methyl]-4-(4-methylsulfinylphenoxy)benzenesulfonamide

C16H20N2O4S2 — CID 25032786

IUPAC3-[(dimethylamino)methyl]-4-(4-methylsulfinylphenoxy)benzenesulfonamide
SMILESCN(C)Cc1cc(S(N)(=O)=O)ccc1Oc1ccc(S(C)=O)cc1
InChIInChI=1S/C16H20N2O4S2/c1-18(2)11-12-10-15(24(17,20)21)8-9-16(12)22-13-4-6-14(7-5-13)23(3)19/h4-10H,11H2,1-3H3,(H2,17,20,21)
InChIKeyJOQTYFCRRMFQJX-UHFFFAOYSA-N
MW368.48 g/mol
LogP1.93
Rot. Bonds6

About 3-[(dimethylamino)methyl]-4-(4-methylsulfinylphenoxy)benzenesulfonamide

3-[(dimethylamino)methyl]-4-(4-methylsulfinylphenoxy)benzenesulfonamide (PubChem CID 25032786) has the molecular formula C16H20N2O4S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-4-(4-methylsulfinylphenoxy)benzenesulfonamide.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-4-(4-methylsulfinylphenoxy)benzenesulfonamide
PubChem CID25032786
Molecular FormulaC16H20N2O4S2
Molecular Weight368.48 g/mol
Exact Mass368.09
IUPAC Name3-[(dimethylamino)methyl]-4-(4-methylsulfinylphenoxy)benzenesulfonamide
SMILESCN(C)Cc1cc(S(N)(=O)=O)ccc1Oc1ccc(S(C)=O)cc1
InChIInChI=1S/C16H20N2O4S2/c1-18(2)11-12-10-15(24(17,20)21)8-9-16(12)22-13-4-6-14(7-5-13)23(3)19/h4-10H,11H2,1-3H3,(H2,17,20,21)
InChIKeyJOQTYFCRRMFQJX-UHFFFAOYSA-N
XLogP1.93
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-4-(4-methylsulfinylphenoxy)benzenesulfonamide?
The IUPAC name of 3-[(dimethylamino)methyl]-4-(4-methylsulfinylphenoxy)benzenesulfonamide (CID 25032786) is 3-[(dimethylamino)methyl]-4-(4-methylsulfinylphenoxy)benzenesulfonamide.
What is the SMILES notation for 3-[(dimethylamino)methyl]-4-(4-methylsulfinylphenoxy)benzenesulfonamide?
The canonical SMILES for 3-[(dimethylamino)methyl]-4-(4-methylsulfinylphenoxy)benzenesulfonamide is CN(C)Cc1cc(S(N)(=O)=O)ccc1Oc1ccc(S(C)=O)cc1.
What is the InChIKey of 3-[(dimethylamino)methyl]-4-(4-methylsulfinylphenoxy)benzenesulfonamide?
The InChIKey is JOQTYFCRRMFQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S2/c1-18(2)11-12-10-15(24(17,20)21)8-9-16(12)22-13-4-6-14(7-5-13)23(3)19/h4-10H,11H2,1-3H3,(H2,17,20,21).
What are the key properties of 3-[(dimethylamino)methyl]-4-(4-methylsulfinylphenoxy)benzenesulfonamide?
3-[(dimethylamino)methyl]-4-(4-methylsulfinylphenoxy)benzenesulfonamide has a molecular weight of 368.48 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-4-(4-methylsulfinylphenoxy)benzenesulfonamide is sourced from PubChem (CID 25032786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).