4-(benzylsulfonylamino)-N-tert-butylbenzenesulfonamide

C17H22N2O4S2 — CID 1310944

IUPAC4-(benzylsulfonylamino)-N-tert-butylbenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1
InChIInChI=1S/C17H22N2O4S2/c1-17(2,3)19-25(22,23)16-11-9-15(10-12-16)18-24(20,21)13-14-7-5-4-6-8-14/h4-12,18-19H,13H2,1-3H3
InChIKeyRXIYPNIUFVONJL-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.71
Rot. Bonds6

About 4-(benzylsulfonylamino)-N-tert-butylbenzenesulfonamide

4-(benzylsulfonylamino)-N-tert-butylbenzenesulfonamide (PubChem CID 1310944) has the molecular formula C17H22N2O4S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 4-(benzylsulfonylamino)-N-tert-butylbenzenesulfonamide.

Molecular Properties

Compound Name4-(benzylsulfonylamino)-N-tert-butylbenzenesulfonamide
PubChem CID1310944
Molecular FormulaC17H22N2O4S2
Molecular Weight382.51 g/mol
Exact Mass382.10
IUPAC Name4-(benzylsulfonylamino)-N-tert-butylbenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1
InChIInChI=1S/C17H22N2O4S2/c1-17(2,3)19-25(22,23)16-11-9-15(10-12-16)18-24(20,21)13-14-7-5-4-6-8-14/h4-12,18-19H,13H2,1-3H3
InChIKeyRXIYPNIUFVONJL-UHFFFAOYSA-N
XLogP2.71
TPSA92.34 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 ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(benzylsulfonylamino)-N-tert-butylbenzenesulfonamide?
The IUPAC name of 4-(benzylsulfonylamino)-N-tert-butylbenzenesulfonamide (CID 1310944) is 4-(benzylsulfonylamino)-N-tert-butylbenzenesulfonamide.
What is the SMILES notation for 4-(benzylsulfonylamino)-N-tert-butylbenzenesulfonamide?
The canonical SMILES for 4-(benzylsulfonylamino)-N-tert-butylbenzenesulfonamide is CC(C)(C)NS(=O)(=O)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1.
What is the InChIKey of 4-(benzylsulfonylamino)-N-tert-butylbenzenesulfonamide?
The InChIKey is RXIYPNIUFVONJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S2/c1-17(2,3)19-25(22,23)16-11-9-15(10-12-16)18-24(20,21)13-14-7-5-4-6-8-14/h4-12,18-19H,13H2,1-3H3.
What are the key properties of 4-(benzylsulfonylamino)-N-tert-butylbenzenesulfonamide?
4-(benzylsulfonylamino)-N-tert-butylbenzenesulfonamide has a molecular weight of 382.51 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylsulfonylamino)-N-tert-butylbenzenesulfonamide is sourced from PubChem (CID 1310944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).