N-ethyl-4-(propylamino)benzenesulfonamide

C11H18N2O2S — CID 43453948

IUPACN-ethyl-4-(propylamino)benzenesulfonamide
SMILESCCCNc1ccc(S(=O)(=O)NCC)cc1
InChIInChI=1S/C11H18N2O2S/c1-3-9-12-10-5-7-11(8-6-10)16(14,15)13-4-2/h5-8,12-13H,3-4,9H2,1-2H3
InChIKeyKWSUODMRESGTJI-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.81
Rot. Bonds6

About N-ethyl-4-(propylamino)benzenesulfonamide

N-ethyl-4-(propylamino)benzenesulfonamide (PubChem CID 43453948) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is N-ethyl-4-(propylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-(propylamino)benzenesulfonamide
PubChem CID43453948
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC NameN-ethyl-4-(propylamino)benzenesulfonamide
SMILESCCCNc1ccc(S(=O)(=O)NCC)cc1
InChIInChI=1S/C11H18N2O2S/c1-3-9-12-10-5-7-11(8-6-10)16(14,15)13-4-2/h5-8,12-13H,3-4,9H2,1-2H3
InChIKeyKWSUODMRESGTJI-UHFFFAOYSA-N
XLogP1.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethylpropyl)-4-(propylamino)benzenesulfonamide
CID 62147451
4-[2-(ethylamino)ethylamino]-N-propylbenzenesulfonamide
CID 62665534
N-ethyl-4-(3,3,3-trifluoropropylamino)benzenesulfonamide
CID 63226786
4-(propylamino)-N-(2-sulfamoylethyl)benzenesulfonamide
CID 62146808
4-(2-ethoxyethylamino)-N-ethylbenzenesulfonamide
CID 43591283
N-ethyl-4-(5-hydroxypentylamino)benzenesulfonamide
CID 107318094
4-[3-(diethylamino)propylamino]-N-ethylbenzenesulfonamide
CID 43453969
4-[4-(ethylsulfamoyl)anilino]butanamide
CID 60864144
3-[[4-(propylamino)phenyl]sulfonylamino]propanamide
CID 62146441
4-[2-(dimethylamino)ethylamino]-N-propylbenzenesulfonamide
CID 43454080
N-ethyl-4-(2-pyridin-4-ylethylamino)benzenesulfonamide
CID 60904045
N-(4-iodophenyl)-4-(propylamino)benzenesulfonamide
CID 62142672

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(propylamino)benzenesulfonamide?
The IUPAC name of N-ethyl-4-(propylamino)benzenesulfonamide (CID 43453948) is N-ethyl-4-(propylamino)benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-(propylamino)benzenesulfonamide?
The canonical SMILES for N-ethyl-4-(propylamino)benzenesulfonamide is CCCNc1ccc(S(=O)(=O)NCC)cc1.
What is the InChIKey of N-ethyl-4-(propylamino)benzenesulfonamide?
The InChIKey is KWSUODMRESGTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-3-9-12-10-5-7-11(8-6-10)16(14,15)13-4-2/h5-8,12-13H,3-4,9H2,1-2H3.
What are the key properties of N-ethyl-4-(propylamino)benzenesulfonamide?
N-ethyl-4-(propylamino)benzenesulfonamide has a molecular weight of 242.34 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(propylamino)benzenesulfonamide is sourced from PubChem (CID 43453948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).