2-(2-aminophenyl)-N-tert-butylbenzenesulfonamide

C16H20N2O2S — CID 18545780

IUPAC2-(2-aminophenyl)-N-tert-butylbenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccccc1-c1ccccc1N
InChIInChI=1S/C16H20N2O2S/c1-16(2,3)18-21(19,20)15-11-7-5-9-13(15)12-8-4-6-10-14(12)17/h4-11,18H,17H2,1-3H3
InChIKeyYDTCITOANRJDQE-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.01
Rot. Bonds3

About 2-(2-aminophenyl)-N-tert-butylbenzenesulfonamide

2-(2-aminophenyl)-N-tert-butylbenzenesulfonamide (PubChem CID 18545780) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-(2-aminophenyl)-N-tert-butylbenzenesulfonamide.

Molecular Properties

Compound Name2-(2-aminophenyl)-N-tert-butylbenzenesulfonamide
PubChem CID18545780
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name2-(2-aminophenyl)-N-tert-butylbenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccccc1-c1ccccc1N
InChIInChI=1S/C16H20N2O2S/c1-16(2,3)18-21(19,20)15-11-7-5-9-13(15)12-8-4-6-10-14(12)17/h4-11,18H,17H2,1-3H3
InChIKeyYDTCITOANRJDQE-UHFFFAOYSA-N
XLogP3.01
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-N-tert-butylbenzenesulfonamide?
The IUPAC name of 2-(2-aminophenyl)-N-tert-butylbenzenesulfonamide (CID 18545780) is 2-(2-aminophenyl)-N-tert-butylbenzenesulfonamide.
What is the SMILES notation for 2-(2-aminophenyl)-N-tert-butylbenzenesulfonamide?
The canonical SMILES for 2-(2-aminophenyl)-N-tert-butylbenzenesulfonamide is CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccccc1N.
What is the InChIKey of 2-(2-aminophenyl)-N-tert-butylbenzenesulfonamide?
The InChIKey is YDTCITOANRJDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-16(2,3)18-21(19,20)15-11-7-5-9-13(15)12-8-4-6-10-14(12)17/h4-11,18H,17H2,1-3H3.
What are the key properties of 2-(2-aminophenyl)-N-tert-butylbenzenesulfonamide?
2-(2-aminophenyl)-N-tert-butylbenzenesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-N-tert-butylbenzenesulfonamide is sourced from PubChem (CID 18545780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).