4-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]benzenesulfonamide

C18H24N2O4S2 — CID 11553012

IUPAC4-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C18H24N2O4S2/c1-18(2,3)15-6-10-17(11-7-15)26(23,24)20-13-12-14-4-8-16(9-5-14)25(19,21)22/h4-11,20H,12-13H2,1-3H3,(H2,19,21,22)
InChIKeyFTZDIRAVFNSOGI-UHFFFAOYSA-N
MW396.53 g/mol
LogP2.15
Rot. Bonds6

About 4-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]benzenesulfonamide

4-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]benzenesulfonamide (PubChem CID 11553012) has the molecular formula C18H24N2O4S2 and a molecular weight of 396.53 g/mol. Its IUPAC name is 4-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]benzenesulfonamide
PubChem CID11553012
Molecular FormulaC18H24N2O4S2
Molecular Weight396.53 g/mol
Exact Mass396.12
IUPAC Name4-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C18H24N2O4S2/c1-18(2,3)15-6-10-17(11-7-15)26(23,24)20-13-12-14-4-8-16(9-5-14)25(19,21)22/h4-11,20H,12-13H2,1-3H3,(H2,19,21,22)
InChIKeyFTZDIRAVFNSOGI-UHFFFAOYSA-N
XLogP2.15
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]benzenesulfonamide (CID 11553012) is 4-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]benzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]benzenesulfonamide?
The InChIKey is FTZDIRAVFNSOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S2/c1-18(2,3)15-6-10-17(11-7-15)26(23,24)20-13-12-14-4-8-16(9-5-14)25(19,21)22/h4-11,20H,12-13H2,1-3H3,(H2,19,21,22).
What are the key properties of 4-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]benzenesulfonamide?
4-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]benzenesulfonamide has a molecular weight of 396.53 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 11553012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).