N-cyclopropyl-N-ethyl-4-(ethylamino)benzenesulfonamide

C13H20N2O2S — CID 62143418

IUPACN-cyclopropyl-N-ethyl-4-(ethylamino)benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)N(CC)C2CC2)cc1
InChIInChI=1S/C13H20N2O2S/c1-3-14-11-5-9-13(10-6-11)18(16,17)15(4-2)12-7-8-12/h5-6,9-10,12,14H,3-4,7-8H2,1-2H3
InChIKeyBRJBBQQSEADACM-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.29
Rot. Bonds6

About N-cyclopropyl-N-ethyl-4-(ethylamino)benzenesulfonamide

N-cyclopropyl-N-ethyl-4-(ethylamino)benzenesulfonamide (PubChem CID 62143418) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-cyclopropyl-N-ethyl-4-(ethylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-ethyl-4-(ethylamino)benzenesulfonamide
PubChem CID62143418
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-cyclopropyl-N-ethyl-4-(ethylamino)benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)N(CC)C2CC2)cc1
InChIInChI=1S/C13H20N2O2S/c1-3-14-11-5-9-13(10-6-11)18(16,17)15(4-2)12-7-8-12/h5-6,9-10,12,14H,3-4,7-8H2,1-2H3
InChIKeyBRJBBQQSEADACM-UHFFFAOYSA-N
XLogP2.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-(cyclopropylmethyl)-4-(ethylamino)benzenesulfonamide
CID 64522429
N-cyclopropyl-N-ethyl-4-(methylamino)benzenesulfonamide
CID 43264442
N-cyclopentyl-N-ethyl-4-(methylamino)benzenesulfonamide
CID 43541535
4-(ethylamino)-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 62151171
N-cyclopropyl-N-ethyl-5-(ethylamino)-2-nitrobenzenesulfonamide
CID 62143932
N-cyclopropyl-N-(2-hydroxyethyl)-4-(propylamino)benzenesulfonamide
CID 62151572
N-ethyl-4-(ethylamino)-N-methylbenzenesulfonamide
CID 62144614
4-[cyclopropyl(ethyl)sulfamoyl]-N-methylbenzamide
CID 24679124
N-cyclopropyl-N-ethyl-4-(ethylamino)-3-nitrobenzenesulfonamide
CID 62143250
4-(ethylamino)-N,N-dimethylbenzenesulfonamide
CID 43415076
N-cyclopentyl-N-ethyl-4-ethylsulfonylbenzenesulfonamide
CID 87024719
N-cyclopropyl-N-ethyl-4-(propylaminomethyl)benzenesulfonamide
CID 60824957

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-ethyl-4-(ethylamino)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-N-ethyl-4-(ethylamino)benzenesulfonamide (CID 62143418) is N-cyclopropyl-N-ethyl-4-(ethylamino)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-N-ethyl-4-(ethylamino)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-N-ethyl-4-(ethylamino)benzenesulfonamide is CCNc1ccc(S(=O)(=O)N(CC)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N-ethyl-4-(ethylamino)benzenesulfonamide?
The InChIKey is BRJBBQQSEADACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-3-14-11-5-9-13(10-6-11)18(16,17)15(4-2)12-7-8-12/h5-6,9-10,12,14H,3-4,7-8H2,1-2H3.
What are the key properties of N-cyclopropyl-N-ethyl-4-(ethylamino)benzenesulfonamide?
N-cyclopropyl-N-ethyl-4-(ethylamino)benzenesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-ethyl-4-(ethylamino)benzenesulfonamide is sourced from PubChem (CID 62143418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).