N-(1-cyclopropylethyl)-N-methyl-4-(propylamino)benzenesulfonamide

C15H24N2O2S — CID 62145589

IUPACN-(1-cyclopropylethyl)-N-methyl-4-(propylamino)benzenesulfonamide
SMILESCCCNc1ccc(S(=O)(=O)N(C)C(C)C2CC2)cc1
InChIInChI=1S/C15H24N2O2S/c1-4-11-16-14-7-9-15(10-8-14)20(18,19)17(3)12(2)13-5-6-13/h7-10,12-13,16H,4-6,11H2,1-3H3
InChIKeyYSDRJMBPQSSSBJ-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.93
Rot. Bonds7

About N-(1-cyclopropylethyl)-N-methyl-4-(propylamino)benzenesulfonamide

N-(1-cyclopropylethyl)-N-methyl-4-(propylamino)benzenesulfonamide (PubChem CID 62145589) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-N-methyl-4-(propylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-N-methyl-4-(propylamino)benzenesulfonamide
PubChem CID62145589
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-(1-cyclopropylethyl)-N-methyl-4-(propylamino)benzenesulfonamide
SMILESCCCNc1ccc(S(=O)(=O)N(C)C(C)C2CC2)cc1
InChIInChI=1S/C15H24N2O2S/c1-4-11-16-14-7-9-15(10-8-14)20(18,19)17(3)12(2)13-5-6-13/h7-10,12-13,16H,4-6,11H2,1-3H3
InChIKeyYSDRJMBPQSSSBJ-UHFFFAOYSA-N
XLogP2.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-cyclopropylethyl(methyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791377
4-tert-butyl-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide
CID 134018131
N-methyl-4-(propylamino)-N-(thiolan-3-yl)benzenesulfonamide
CID 62145160
N-(1-cyclopropylethyl)-N-methyl-4-nitrobenzenesulfonamide
CID 47149207
N-methyl-N-(oxolan-3-yl)-4-(propylamino)benzenesulfonamide
CID 82744052
N-cyclopropyl-N-(2-hydroxyethyl)-4-(propylamino)benzenesulfonamide
CID 62151572
4-bromo-N-(1-cyclopropylethyl)-N,3-dimethylbenzenesulfonamide
CID 54920579
N-(1-cyclopropylethyl)-3-(1-hydroxypropyl)-N-methylbenzenesulfonamide
CID 60873070
4-(ethylamino)-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 62151171
N-cyclopropyl-N-ethyl-4-(ethylamino)benzenesulfonamide
CID 62143418
N-methyl-N-propan-2-yl-4-(propylaminomethyl)benzenesulfonamide
CID 54921908
N-(3-ethylpentan-2-yl)-4-(propylamino)benzenesulfonamide
CID 63837919

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-N-methyl-4-(propylamino)benzenesulfonamide?
The IUPAC name of N-(1-cyclopropylethyl)-N-methyl-4-(propylamino)benzenesulfonamide (CID 62145589) is N-(1-cyclopropylethyl)-N-methyl-4-(propylamino)benzenesulfonamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-N-methyl-4-(propylamino)benzenesulfonamide?
The canonical SMILES for N-(1-cyclopropylethyl)-N-methyl-4-(propylamino)benzenesulfonamide is CCCNc1ccc(S(=O)(=O)N(C)C(C)C2CC2)cc1.
What is the InChIKey of N-(1-cyclopropylethyl)-N-methyl-4-(propylamino)benzenesulfonamide?
The InChIKey is YSDRJMBPQSSSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-4-11-16-14-7-9-15(10-8-14)20(18,19)17(3)12(2)13-5-6-13/h7-10,12-13,16H,4-6,11H2,1-3H3.
What are the key properties of N-(1-cyclopropylethyl)-N-methyl-4-(propylamino)benzenesulfonamide?
N-(1-cyclopropylethyl)-N-methyl-4-(propylamino)benzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-N-methyl-4-(propylamino)benzenesulfonamide is sourced from PubChem (CID 62145589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).