N-(2-amino-4-chlorophenyl)-4-propylbenzenesulfonamide

C15H17ClN2O2S — CID 61072072

IUPACN-(2-amino-4-chlorophenyl)-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2N)cc1
InChIInChI=1S/C15H17ClN2O2S/c1-2-3-11-4-7-13(8-5-11)21(19,20)18-15-9-6-12(16)10-14(15)17/h4-10,18H,2-3,17H2,1H3
InChIKeyPGYRVCXPZQFXGL-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.68
Rot. Bonds5

About N-(2-amino-4-chlorophenyl)-4-propylbenzenesulfonamide

N-(2-amino-4-chlorophenyl)-4-propylbenzenesulfonamide (PubChem CID 61072072) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-4-propylbenzenesulfonamide
PubChem CID61072072
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC NameN-(2-amino-4-chlorophenyl)-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2N)cc1
InChIInChI=1S/C15H17ClN2O2S/c1-2-3-11-4-7-13(8-5-11)21(19,20)18-15-9-6-12(16)10-14(15)17/h4-10,18H,2-3,17H2,1H3
InChIKeyPGYRVCXPZQFXGL-UHFFFAOYSA-N
XLogP3.68
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 53.68
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

4-chloro-N-(4-propylphenyl)benzenesulfonamide
CID 167013208
N-(2-chloro-4-fluorophenyl)-4-propylbenzenesulfonamide
CID 8500802
N-(2-amino-6-chlorophenyl)-4-propylbenzenesulfonamide
CID 62083735
3-amino-4-fluoro-N-(4-propylphenyl)benzenesulfonamide
CID 43378598
3,4-dimethyl-5-[(4-propylphenyl)sulfonylamino]benzenesulfonamide
CID 9241775
4-amino-N-(2,5-dichlorophenyl)benzenesulfonamide
CID 28590083
4-(aminomethyl)-N-(5-chloro-2-fluorophenyl)benzenesulfonamide
CID 60822640
N-(2-amino-4-chlorophenyl)-2-chloroquinoline-6-sulfonamide
CID 118579987
N-(2,6-difluorophenyl)-4-propylbenzenesulfonamide
CID 8500875
N-(2-bromo-5-fluorophenyl)-4-propylbenzenesulfonamide
CID 107640872
N-[2-iodo-4-(trifluoromethyl)phenyl]-4-propylbenzenesulfonamide
CID 67034890
N-iodo-4-propylbenzenesulfonamide
CID 143564822

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-4-propylbenzenesulfonamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-4-propylbenzenesulfonamide (CID 61072072) is N-(2-amino-4-chlorophenyl)-4-propylbenzenesulfonamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-4-propylbenzenesulfonamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2N)cc1.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-4-propylbenzenesulfonamide?
The InChIKey is PGYRVCXPZQFXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-2-3-11-4-7-13(8-5-11)21(19,20)18-15-9-6-12(16)10-14(15)17/h4-10,18H,2-3,17H2,1H3.
What are the key properties of N-(2-amino-4-chlorophenyl)-4-propylbenzenesulfonamide?
N-(2-amino-4-chlorophenyl)-4-propylbenzenesulfonamide has a molecular weight of 324.83 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-chlorophenyl)-4-propylbenzenesulfonamide is sourced from PubChem (CID 61072072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).