2-(4-aminophenyl)-N-tert-butyl-N-propylbenzenesulfonamide

C19H26N2O2S — CID 10783804

IUPAC2-(4-aminophenyl)-N-tert-butyl-N-propylbenzenesulfonamide
SMILESCCCN(C(C)(C)C)S(=O)(=O)c1ccccc1-c1ccc(N)cc1
InChIInChI=1S/C19H26N2O2S/c1-5-14-21(19(2,3)4)24(22,23)18-9-7-6-8-17(18)15-10-12-16(20)13-11-15/h6-13H,5,14,20H2,1-4H3
InChIKeyCESDQNPIMHPLKV-UHFFFAOYSA-N
MW346.50 g/mol
LogP4.14
Rot. Bonds5

About 2-(4-aminophenyl)-N-tert-butyl-N-propylbenzenesulfonamide

2-(4-aminophenyl)-N-tert-butyl-N-propylbenzenesulfonamide (PubChem CID 10783804) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-tert-butyl-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-tert-butyl-N-propylbenzenesulfonamide
PubChem CID10783804
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC Name2-(4-aminophenyl)-N-tert-butyl-N-propylbenzenesulfonamide
SMILESCCCN(C(C)(C)C)S(=O)(=O)c1ccccc1-c1ccc(N)cc1
InChIInChI=1S/C19H26N2O2S/c1-5-14-21(19(2,3)4)24(22,23)18-9-7-6-8-17(18)15-10-12-16(20)13-11-15/h6-13H,5,14,20H2,1-4H3
InChIKeyCESDQNPIMHPLKV-UHFFFAOYSA-N
XLogP4.14
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(1-aminopropylsulfonyl)phenyl]aniline
CID 57106926
N,N-dimethyl-2-phenylbenzenesulfonamide
CID 19014102
2-amino-N,N-dipropylbenzenesulfonamide
CID 16783844
[4-(2-methylsulfonylphenyl)phenyl]methanamine
CID 15551924
4-amino-N-(3,3-dimethylbutyl)-N-propylbenzenesulfonamide
CID 163733068
5-amino-2-(4-aminophenyl)benzenesulfonamide
CID 102079717
2-N-propan-2-yl-2-N-propylbenzene-1,2-disulfonamide
CID 43269908
N-(1-amino-2-methylpropan-2-yl)-2-phenyl-N-propylethanesulfonamide
CID 80686235
N-(2-aminoethyl)-N-propyl-2-(trifluoromethyl)benzenesulfonamide
CID 61349925
N-(4-aminophenyl)-4-methyl-N-propylbenzenesulfonamide
CID 63233552
1-pentylsulfonyl-2-phenylbenzene
CID 69120120
N-tert-butyl-2-[methyl-(2-phenylphenyl)sulfonylamino]acetamide
CID 86922586

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-tert-butyl-N-propylbenzenesulfonamide?
The IUPAC name of 2-(4-aminophenyl)-N-tert-butyl-N-propylbenzenesulfonamide (CID 10783804) is 2-(4-aminophenyl)-N-tert-butyl-N-propylbenzenesulfonamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-tert-butyl-N-propylbenzenesulfonamide?
The canonical SMILES for 2-(4-aminophenyl)-N-tert-butyl-N-propylbenzenesulfonamide is CCCN(C(C)(C)C)S(=O)(=O)c1ccccc1-c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-tert-butyl-N-propylbenzenesulfonamide?
The InChIKey is CESDQNPIMHPLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-5-14-21(19(2,3)4)24(22,23)18-9-7-6-8-17(18)15-10-12-16(20)13-11-15/h6-13H,5,14,20H2,1-4H3.
What are the key properties of 2-(4-aminophenyl)-N-tert-butyl-N-propylbenzenesulfonamide?
2-(4-aminophenyl)-N-tert-butyl-N-propylbenzenesulfonamide has a molecular weight of 346.50 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-tert-butyl-N-propylbenzenesulfonamide is sourced from PubChem (CID 10783804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).