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

C15H22N2O2S — CID 64522429

IUPACN-cyclopropyl-N-(cyclopropylmethyl)-4-(ethylamino)benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)N(CC2CC2)C2CC2)cc1
InChIInChI=1S/C15H22N2O2S/c1-2-16-13-5-9-15(10-6-13)20(18,19)17(14-7-8-14)11-12-3-4-12/h5-6,9-10,12,14,16H,2-4,7-8,11H2,1H3
InChIKeyAWTLKNCQVRQKCK-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.68
Rot. Bonds7

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

N-cyclopropyl-N-(cyclopropylmethyl)-4-(ethylamino)benzenesulfonamide (PubChem CID 64522429) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-cyclopropyl-N-(cyclopropylmethyl)-4-(ethylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(cyclopropylmethyl)-4-(ethylamino)benzenesulfonamide
PubChem CID64522429
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-cyclopropyl-N-(cyclopropylmethyl)-4-(ethylamino)benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)N(CC2CC2)C2CC2)cc1
InChIInChI=1S/C15H22N2O2S/c1-2-16-13-5-9-15(10-6-13)20(18,19)17(14-7-8-14)11-12-3-4-12/h5-6,9-10,12,14,16H,2-4,7-8,11H2,1H3
InChIKeyAWTLKNCQVRQKCK-UHFFFAOYSA-N
XLogP2.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(cyclopropylmethyl)-4-(ethylamino)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-N-(cyclopropylmethyl)-4-(ethylamino)benzenesulfonamide (CID 64522429) is N-cyclopropyl-N-(cyclopropylmethyl)-4-(ethylamino)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-N-(cyclopropylmethyl)-4-(ethylamino)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-N-(cyclopropylmethyl)-4-(ethylamino)benzenesulfonamide is CCNc1ccc(S(=O)(=O)N(CC2CC2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N-(cyclopropylmethyl)-4-(ethylamino)benzenesulfonamide?
The InChIKey is AWTLKNCQVRQKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-2-16-13-5-9-15(10-6-13)20(18,19)17(14-7-8-14)11-12-3-4-12/h5-6,9-10,12,14,16H,2-4,7-8,11H2,1H3.
What are the key properties of N-cyclopropyl-N-(cyclopropylmethyl)-4-(ethylamino)benzenesulfonamide?
N-cyclopropyl-N-(cyclopropylmethyl)-4-(ethylamino)benzenesulfonamide has a molecular weight of 294.42 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(cyclopropylmethyl)-4-(ethylamino)benzenesulfonamide is sourced from PubChem (CID 64522429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).