N-[2-(dimethylamino)ethyl]-4-(ethylamino)-N-propylbenzenesulfonamide

C15H27N3O2S — CID 62158476

IUPACN-[2-(dimethylamino)ethyl]-4-(ethylamino)-N-propylbenzenesulfonamide
SMILESCCCN(CCN(C)C)S(=O)(=O)c1ccc(NCC)cc1
InChIInChI=1S/C15H27N3O2S/c1-5-11-18(13-12-17(3)4)21(19,20)15-9-7-14(8-10-15)16-6-2/h7-10,16H,5-6,11-13H2,1-4H3
InChIKeyMPRQPGCHLICLPE-UHFFFAOYSA-N
MW313.47 g/mol
LogP2.08
Rot. Bonds9

About N-[2-(dimethylamino)ethyl]-4-(ethylamino)-N-propylbenzenesulfonamide

N-[2-(dimethylamino)ethyl]-4-(ethylamino)-N-propylbenzenesulfonamide (PubChem CID 62158476) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-(ethylamino)-N-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-(ethylamino)-N-propylbenzenesulfonamide
PubChem CID62158476
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC NameN-[2-(dimethylamino)ethyl]-4-(ethylamino)-N-propylbenzenesulfonamide
SMILESCCCN(CCN(C)C)S(=O)(=O)c1ccc(NCC)cc1
InChIInChI=1S/C15H27N3O2S/c1-5-11-18(13-12-17(3)4)21(19,20)15-9-7-14(8-10-15)16-6-2/h7-10,16H,5-6,11-13H2,1-4H3
InChIKeyMPRQPGCHLICLPE-UHFFFAOYSA-N
XLogP2.08
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(ethylamino)-N,N-dimethylbenzenesulfonamide
CID 43415076
N-ethyl-4-(ethylamino)-N-methylbenzenesulfonamide
CID 62144614
4-(dipropylsulfamoyl)benzenesulfonyl chloride
CID 154093021
4-(benzenesulfonamido)-N,N-dipropylbenzenesulfonamide
CID 1213371
N,N-dipropylbenzenesulfonamide
CID 4053954
4-(ethylamino)-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 62151171
2-amino-N-[2-(dimethylamino)ethyl]-N-propylpyridine-4-sulfonamide
CID 62159378
N,N'-bis[4-(dipropylsulfamoyl)phenyl]decanediamide
CID 17080128
N,N-dipropylbenzenesulfonamide;dihydrochloride
CID 142038428
N-[4-[2-chloroethyl(propyl)sulfamoyl]phenyl]acetamide
CID 63397159
4-formyl-N,N-dipropylbenzenesulfonamide
CID 138962999
N-[3-(dimethylamino)propyl]-N-ethyl-4-(methylamino)benzenesulfonamide
CID 102994804

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-(ethylamino)-N-propylbenzenesulfonamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-(ethylamino)-N-propylbenzenesulfonamide (CID 62158476) is N-[2-(dimethylamino)ethyl]-4-(ethylamino)-N-propylbenzenesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-(ethylamino)-N-propylbenzenesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-(ethylamino)-N-propylbenzenesulfonamide is CCCN(CCN(C)C)S(=O)(=O)c1ccc(NCC)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-(ethylamino)-N-propylbenzenesulfonamide?
The InChIKey is MPRQPGCHLICLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-5-11-18(13-12-17(3)4)21(19,20)15-9-7-14(8-10-15)16-6-2/h7-10,16H,5-6,11-13H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-4-(ethylamino)-N-propylbenzenesulfonamide?
N-[2-(dimethylamino)ethyl]-4-(ethylamino)-N-propylbenzenesulfonamide has a molecular weight of 313.47 g/mol, XLogP of 2.08, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-(ethylamino)-N-propylbenzenesulfonamide is sourced from PubChem (CID 62158476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).