N-butan-2-yl-N-ethyl-2-(propylamino)benzenesulfonamide

C15H26N2O2S — CID 62144303

IUPACN-butan-2-yl-N-ethyl-2-(propylamino)benzenesulfonamide
SMILESCCCNc1ccccc1S(=O)(=O)N(CC)C(C)CC
InChIInChI=1S/C15H26N2O2S/c1-5-12-16-14-10-8-9-11-15(14)20(18,19)17(7-3)13(4)6-2/h8-11,13,16H,5-7,12H2,1-4H3
InChIKeyBRDKBCJKUDKQFR-UHFFFAOYSA-N
MW298.45 g/mol
LogP3.32
Rot. Bonds8

About N-butan-2-yl-N-ethyl-2-(propylamino)benzenesulfonamide

N-butan-2-yl-N-ethyl-2-(propylamino)benzenesulfonamide (PubChem CID 62144303) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N-butan-2-yl-N-ethyl-2-(propylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-butan-2-yl-N-ethyl-2-(propylamino)benzenesulfonamide
PubChem CID62144303
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC NameN-butan-2-yl-N-ethyl-2-(propylamino)benzenesulfonamide
SMILESCCCNc1ccccc1S(=O)(=O)N(CC)C(C)CC
InChIInChI=1S/C15H26N2O2S/c1-5-12-16-14-10-8-9-11-15(14)20(18,19)17(7-3)13(4)6-2/h8-11,13,16H,5-7,12H2,1-4H3
InChIKeyBRDKBCJKUDKQFR-UHFFFAOYSA-N
XLogP3.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(4-methylpentan-2-yl)-2-(propylamino)benzenesulfonamide
CID 62152581
N-[2-(dimethylamino)ethyl]-N-methyl-2-(propylamino)benzenesulfonamide
CID 63726361
N-ethyl-N-(1-methoxypropan-2-yl)-3-(propylamino)pyridine-2-sulfonamide
CID 103305051
2-[2-(diethylamino)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 43454463
2-(3-aminobutylamino)-N,N-dimethylbenzenesulfonamide
CID 63251442
N,N-dimethyl-2-(octylamino)benzenesulfonamide
CID 115568876
N,N-diethyl-3-(propylamino)pyridine-2-sulfonamide
CID 103303638
2-(hexan-3-ylamino)-N,N-dimethylbenzenesulfonamide
CID 62119140
N-methyl-N-propan-2-yl-2-(propylamino)benzamide
CID 62166178
N-butan-2-yl-N-ethyl-2-(methylamino)-5-nitrobenzenesulfonamide
CID 62144145
2-methylsulfonyl-N-[2-(propylamino)phenyl]propanamide
CID 102562893
4-[butan-2-yl(ethyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791315

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-ethyl-2-(propylamino)benzenesulfonamide?
The IUPAC name of N-butan-2-yl-N-ethyl-2-(propylamino)benzenesulfonamide (CID 62144303) is N-butan-2-yl-N-ethyl-2-(propylamino)benzenesulfonamide.
What is the SMILES notation for N-butan-2-yl-N-ethyl-2-(propylamino)benzenesulfonamide?
The canonical SMILES for N-butan-2-yl-N-ethyl-2-(propylamino)benzenesulfonamide is CCCNc1ccccc1S(=O)(=O)N(CC)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-ethyl-2-(propylamino)benzenesulfonamide?
The InChIKey is BRDKBCJKUDKQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-5-12-16-14-10-8-9-11-15(14)20(18,19)17(7-3)13(4)6-2/h8-11,13,16H,5-7,12H2,1-4H3.
What are the key properties of N-butan-2-yl-N-ethyl-2-(propylamino)benzenesulfonamide?
N-butan-2-yl-N-ethyl-2-(propylamino)benzenesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-ethyl-2-(propylamino)benzenesulfonamide is sourced from PubChem (CID 62144303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).