4-amino-N-[(4-tert-butylphenyl)methyl]benzenesulfonamide

C17H22N2O2S — CID 9150177

IUPAC4-amino-N-[(4-tert-butylphenyl)methyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(CNS(=O)(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C17H22N2O2S/c1-17(2,3)14-6-4-13(5-7-14)12-19-22(20,21)16-10-8-15(18)9-11-16/h4-11,19H,12,18H2,1-3H3
InChIKeyJDHXHASYDMYVMS-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.04
Rot. Bonds4

About 4-amino-N-[(4-tert-butylphenyl)methyl]benzenesulfonamide

4-amino-N-[(4-tert-butylphenyl)methyl]benzenesulfonamide (PubChem CID 9150177) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is 4-amino-N-[(4-tert-butylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[(4-tert-butylphenyl)methyl]benzenesulfonamide
PubChem CID9150177
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name4-amino-N-[(4-tert-butylphenyl)methyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(CNS(=O)(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C17H22N2O2S/c1-17(2,3)14-6-4-13(5-7-14)12-19-22(20,21)16-10-8-15(18)9-11-16/h4-11,19H,12,18H2,1-3H3
InChIKeyJDHXHASYDMYVMS-UHFFFAOYSA-N
XLogP3.04
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-aminophenyl)methyl]-4-fluorobenzenesulfonamide
CID 39380215
4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-methoxybenzamide
CID 17439202
N-[(4-aminophenyl)methyl]-4-ethoxybenzenesulfonamide
CID 39439996
N-[(4-tert-butylphenyl)methyl]naphthalene-2-sulfonamide
CID 3780847
N-[(4-tert-butylphenyl)methyl]-1-oxidopyridin-1-ium-3-sulfonamide
CID 154584822
4-tert-butyl-N-ethylbenzenesulfonamide
CID 846956
5-amino-N-[(4-tert-butylphenyl)methyl]naphthalene-1-sulfonamide
CID 69050845
4-amino-N-(2,2-difluoropropyl)benzenesulfonamide
CID 71579055
N-(2-aminopropyl)-4-tert-butylbenzenesulfonamide
CID 63733559
4-tert-butyl-N-(3-methylbutyl)benzenesulfonamide
CID 838084
N-[[4-(aminomethyl)phenyl]methyl]-4-methylbenzenesulfonamide
CID 60919101
2-[(4-tert-butylphenyl)sulfonylamino]acetamide
CID 9189386

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-tert-butylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-amino-N-[(4-tert-butylphenyl)methyl]benzenesulfonamide (CID 9150177) is 4-amino-N-[(4-tert-butylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[(4-tert-butylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-[(4-tert-butylphenyl)methyl]benzenesulfonamide is CC(C)(C)c1ccc(CNS(=O)(=O)c2ccc(N)cc2)cc1.
What is the InChIKey of 4-amino-N-[(4-tert-butylphenyl)methyl]benzenesulfonamide?
The InChIKey is JDHXHASYDMYVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-17(2,3)14-6-4-13(5-7-14)12-19-22(20,21)16-10-8-15(18)9-11-16/h4-11,19H,12,18H2,1-3H3.
What are the key properties of 4-amino-N-[(4-tert-butylphenyl)methyl]benzenesulfonamide?
4-amino-N-[(4-tert-butylphenyl)methyl]benzenesulfonamide has a molecular weight of 318.44 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-tert-butylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 9150177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).