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

C16H20N2O4S2 — CID 11508929

IUPAC2-[(4-tert-butylphenyl)sulfonylamino]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccccc2S(N)(=O)=O)cc1
InChIInChI=1S/C16H20N2O4S2/c1-16(2,3)12-8-10-13(11-9-12)24(21,22)18-14-6-4-5-7-15(14)23(17,19)20/h4-11,18H,1-3H3,(H2,17,19,20)
InChIKeyKYRLTUNGHJLEJE-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.43
Rot. Bonds4

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

2-[(4-tert-butylphenyl)sulfonylamino]benzenesulfonamide (PubChem CID 11508929) has the molecular formula C16H20N2O4S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-[(4-tert-butylphenyl)sulfonylamino]benzenesulfonamide.

Molecular Properties

Compound Name2-[(4-tert-butylphenyl)sulfonylamino]benzenesulfonamide
PubChem CID11508929
Molecular FormulaC16H20N2O4S2
Molecular Weight368.48 g/mol
Exact Mass368.09
IUPAC Name2-[(4-tert-butylphenyl)sulfonylamino]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccccc2S(N)(=O)=O)cc1
InChIInChI=1S/C16H20N2O4S2/c1-16(2,3)12-8-10-13(11-9-12)24(21,22)18-14-6-4-5-7-15(14)23(17,19)20/h4-11,18H,1-3H3,(H2,17,19,20)
InChIKeyKYRLTUNGHJLEJE-UHFFFAOYSA-N
XLogP2.43
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 68782623
2-[(3-methylphenyl)sulfonylamino]benzenesulfonamide
CID 57266876
3,4-difluoro-N-(2-sulfamoylphenyl)benzenesulfonamide
CID 75526090
3,5-dichloro-N-(2-sulfamoylphenyl)benzenesulfonamide
CID 47060111
4-tert-butyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide
CID 47074325
N-(2-tert-butylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 3526040
N-(2-benzoylphenyl)-4-tert-butylbenzenesulfonamide
CID 10883729
p-t-Butylbenzenesulfonamide potassium
CID 66748434
4-(butylamino)-3-[(4-tert-butylphenyl)sulfonylamino]benzenesulfonamide
CID 55487998
4-tert-butyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683562
N-(2H-benzotriazol-4-yl)-4-tert-butylbenzenesulfonamide
CID 110732242
2-(2,2-dimethylpropylamino)benzenesulfonamide
CID 61166662

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylphenyl)sulfonylamino]benzenesulfonamide?
The IUPAC name of 2-[(4-tert-butylphenyl)sulfonylamino]benzenesulfonamide (CID 11508929) is 2-[(4-tert-butylphenyl)sulfonylamino]benzenesulfonamide.
What is the SMILES notation for 2-[(4-tert-butylphenyl)sulfonylamino]benzenesulfonamide?
The canonical SMILES for 2-[(4-tert-butylphenyl)sulfonylamino]benzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2ccccc2S(N)(=O)=O)cc1.
What is the InChIKey of 2-[(4-tert-butylphenyl)sulfonylamino]benzenesulfonamide?
The InChIKey is KYRLTUNGHJLEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S2/c1-16(2,3)12-8-10-13(11-9-12)24(21,22)18-14-6-4-5-7-15(14)23(17,19)20/h4-11,18H,1-3H3,(H2,17,19,20).
What are the key properties of 2-[(4-tert-butylphenyl)sulfonylamino]benzenesulfonamide?
2-[(4-tert-butylphenyl)sulfonylamino]benzenesulfonamide has a molecular weight of 368.48 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylphenyl)sulfonylamino]benzenesulfonamide is sourced from PubChem (CID 11508929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).