3,4-dimethyl-5-[(4-propylphenyl)sulfonylamino]benzenesulfonamide

C17H22N2O4S2 — CID 9241775

IUPAC3,4-dimethyl-5-[(4-propylphenyl)sulfonylamino]benzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)cc1
InChIInChI=1S/C17H22N2O4S2/c1-4-5-14-6-8-15(9-7-14)25(22,23)19-17-11-16(24(18,20)21)10-12(2)13(17)3/h6-11,19H,4-5H2,1-3H3,(H2,18,20,21)
InChIKeyXOBKAVDYBRLCDX-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.70
Rot. Bonds6

About 3,4-dimethyl-5-[(4-propylphenyl)sulfonylamino]benzenesulfonamide

3,4-dimethyl-5-[(4-propylphenyl)sulfonylamino]benzenesulfonamide (PubChem CID 9241775) has the molecular formula C17H22N2O4S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 3,4-dimethyl-5-[(4-propylphenyl)sulfonylamino]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-5-[(4-propylphenyl)sulfonylamino]benzenesulfonamide
PubChem CID9241775
Molecular FormulaC17H22N2O4S2
Molecular Weight382.51 g/mol
Exact Mass382.10
IUPAC Name3,4-dimethyl-5-[(4-propylphenyl)sulfonylamino]benzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)cc1
InChIInChI=1S/C17H22N2O4S2/c1-4-5-14-6-8-15(9-7-14)25(22,23)19-17-11-16(24(18,20)21)10-12(2)13(17)3/h6-11,19H,4-5H2,1-3H3,(H2,18,20,21)
InChIKeyXOBKAVDYBRLCDX-UHFFFAOYSA-N
XLogP2.70
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-[(4-propylphenyl)sulfonylamino]benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-5-[(4-propylphenyl)sulfonylamino]benzenesulfonamide (CID 9241775) is 3,4-dimethyl-5-[(4-propylphenyl)sulfonylamino]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-5-[(4-propylphenyl)sulfonylamino]benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-5-[(4-propylphenyl)sulfonylamino]benzenesulfonamide is CCCc1ccc(S(=O)(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)cc1.
What is the InChIKey of 3,4-dimethyl-5-[(4-propylphenyl)sulfonylamino]benzenesulfonamide?
The InChIKey is XOBKAVDYBRLCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S2/c1-4-5-14-6-8-15(9-7-14)25(22,23)19-17-11-16(24(18,20)21)10-12(2)13(17)3/h6-11,19H,4-5H2,1-3H3,(H2,18,20,21).
What are the key properties of 3,4-dimethyl-5-[(4-propylphenyl)sulfonylamino]benzenesulfonamide?
3,4-dimethyl-5-[(4-propylphenyl)sulfonylamino]benzenesulfonamide has a molecular weight of 382.51 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-[(4-propylphenyl)sulfonylamino]benzenesulfonamide is sourced from PubChem (CID 9241775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).