4-acetyl-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide

C14H20N2O3S — CID 47813772

IUPAC4-acetyl-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCCN(C)C2CC2)cc1
InChIInChI=1S/C14H20N2O3S/c1-11(17)12-3-7-14(8-4-12)20(18,19)15-9-10-16(2)13-5-6-13/h3-4,7-8,13,15H,5-6,9-10H2,1-2H3
InChIKeySQBKFPSFJOJAMG-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.26
Rot. Bonds7

About 4-acetyl-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide

4-acetyl-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide (PubChem CID 47813772) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 4-acetyl-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide
PubChem CID47813772
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name4-acetyl-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCCN(C)C2CC2)cc1
InChIInChI=1S/C14H20N2O3S/c1-11(17)12-3-7-14(8-4-12)20(18,19)15-9-10-16(2)13-5-6-13/h3-4,7-8,13,15H,5-6,9-10H2,1-2H3
InChIKeySQBKFPSFJOJAMG-UHFFFAOYSA-N
XLogP1.26
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide
CID 47813755
4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide
CID 62975510
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-(ethylaminomethyl)benzenesulfonamide
CID 62980477
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-[1-(methylamino)ethyl]benzenesulfonamide
CID 62979062
4-acetyl-N-propylbenzenesulfonamide
CID 2064043
4-(bromomethyl)-N-[2-[cyclopentyl(methyl)amino]ethyl]benzenesulfonamide
CID 65480044
4-acetyl-N-(2-chloroethyl)benzenesulfonamide
CID 61286446
3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-ethylbenzenesulfonamide
CID 62977562
N-cyclopropyl-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide
CID 113052187
N-cyclopentyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113052852
N-[4-[2-[cyclopropyl(methylsulfonyl)amino]ethylsulfamoyl]phenyl]acetamide
CID 113065192
4-acetyl-N-[3-[benzyl(methyl)amino]propyl]benzenesulfonamide
CID 51249681

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide (CID 47813772) is 4-acetyl-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NCCN(C)C2CC2)cc1.
What is the InChIKey of 4-acetyl-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide?
The InChIKey is SQBKFPSFJOJAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-11(17)12-3-7-14(8-4-12)20(18,19)15-9-10-16(2)13-5-6-13/h3-4,7-8,13,15H,5-6,9-10H2,1-2H3.
What are the key properties of 4-acetyl-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide?
4-acetyl-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide has a molecular weight of 296.39 g/mol, XLogP of 1.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 47813772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).