N-(4-aminophenyl)-1-phenyl-N-propylmethanesulfonamide

C16H20N2O2S — CID 63233636

IUPACN-(4-aminophenyl)-1-phenyl-N-propylmethanesulfonamide
SMILESCCCN(c1ccc(N)cc1)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C16H20N2O2S/c1-2-12-18(16-10-8-15(17)9-11-16)21(19,20)13-14-6-4-3-5-7-14/h3-11H,2,12-13,17H2,1H3
InChIKeySMJFFRRKFLAHBL-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.02
Rot. Bonds6

About N-(4-aminophenyl)-1-phenyl-N-propylmethanesulfonamide

N-(4-aminophenyl)-1-phenyl-N-propylmethanesulfonamide (PubChem CID 63233636) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-(4-aminophenyl)-1-phenyl-N-propylmethanesulfonamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-1-phenyl-N-propylmethanesulfonamide
PubChem CID63233636
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-(4-aminophenyl)-1-phenyl-N-propylmethanesulfonamide
SMILESCCCN(c1ccc(N)cc1)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C16H20N2O2S/c1-2-12-18(16-10-8-15(17)9-11-16)21(19,20)13-14-6-4-3-5-7-14/h3-11H,2,12-13,17H2,1H3
InChIKeySMJFFRRKFLAHBL-UHFFFAOYSA-N
XLogP3.02
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-N-propylbutane-1-sulfonamide
CID 55173436
N-(4-aminophenyl)-N-propylpropane-2-sulfonamide
CID 63233852
N-(4-aminophenyl)-N-ethylethanesulfonamide
CID 63233742
4-N-(diethylsulfamoyl)-4-N-propylbenzene-1,4-diamine
CID 63233725
1-chloro-N-phenyl-N-propylmethanesulfonamide
CID 118574649
N-(4-aminophenyl)-4-methyl-N-propylbenzenesulfonamide
CID 63233552
N-(3-aminopropyl)-1-phenyl-N-propylmethanesulfonamide
CID 43136946
aniline;4-N,4-N-dipropylbenzene-1,4-diamine
CID 174806635
1-(4-aminophenyl)-N-ethyl-N-(3-methylphenyl)methanesulfonamide
CID 61075877
N-[2-(4-amino-N-ethylsulfonylanilino)ethyl]-N-methylacetamide
CID 18005661
N-(4-aminophenyl)-4-fluoro-N-propylbenzenesulfonamide
CID 63233678
ethyl N-[(4-aminophenyl)-propylsulfamoyl]carbamate
CID 114461735

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-1-phenyl-N-propylmethanesulfonamide?
The IUPAC name of N-(4-aminophenyl)-1-phenyl-N-propylmethanesulfonamide (CID 63233636) is N-(4-aminophenyl)-1-phenyl-N-propylmethanesulfonamide.
What is the SMILES notation for N-(4-aminophenyl)-1-phenyl-N-propylmethanesulfonamide?
The canonical SMILES for N-(4-aminophenyl)-1-phenyl-N-propylmethanesulfonamide is CCCN(c1ccc(N)cc1)S(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-(4-aminophenyl)-1-phenyl-N-propylmethanesulfonamide?
The InChIKey is SMJFFRRKFLAHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-2-12-18(16-10-8-15(17)9-11-16)21(19,20)13-14-6-4-3-5-7-14/h3-11H,2,12-13,17H2,1H3.
What are the key properties of N-(4-aminophenyl)-1-phenyl-N-propylmethanesulfonamide?
N-(4-aminophenyl)-1-phenyl-N-propylmethanesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-1-phenyl-N-propylmethanesulfonamide is sourced from PubChem (CID 63233636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).