N-cyclopropyl-2-(2,2-dimethylbutylamino)benzenesulfonamide

C15H24N2O2S — CID 103462650

IUPACN-cyclopropyl-2-(2,2-dimethylbutylamino)benzenesulfonamide
SMILESCCC(C)(C)CNc1ccccc1S(=O)(=O)NC1CC1
InChIInChI=1S/C15H24N2O2S/c1-4-15(2,3)11-16-13-7-5-6-8-14(13)20(18,19)17-12-9-10-12/h5-8,12,16-17H,4,9-11H2,1-3H3
InChIKeyPNRPYVJDHNNBIJ-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.98
Rot. Bonds7

About N-cyclopropyl-2-(2,2-dimethylbutylamino)benzenesulfonamide

N-cyclopropyl-2-(2,2-dimethylbutylamino)benzenesulfonamide (PubChem CID 103462650) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-cyclopropyl-2-(2,2-dimethylbutylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(2,2-dimethylbutylamino)benzenesulfonamide
PubChem CID103462650
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-cyclopropyl-2-(2,2-dimethylbutylamino)benzenesulfonamide
SMILESCCC(C)(C)CNc1ccccc1S(=O)(=O)NC1CC1
InChIInChI=1S/C15H24N2O2S/c1-4-15(2,3)11-16-13-7-5-6-8-14(13)20(18,19)17-12-9-10-12/h5-8,12,16-17H,4,9-11H2,1-3H3
InChIKeyPNRPYVJDHNNBIJ-UHFFFAOYSA-N
XLogP2.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]benzenesulfonamide
CID 106246055
2-(2,2-dimethylbutylamino)-N-ethylbenzenesulfonamide
CID 103462606
N-cyclopropyl-2-(2,3,3-trimethylbutylamino)benzenesulfonamide
CID 83142432
N-cyclopropyl-2-(pentylamino)benzenesulfonamide
CID 43454657
N-cyclopropyl-2-(2-hydroxypropylamino)benzenesulfonamide
CID 43500228
2-(methylamino)-N-(4-propylcyclohexyl)benzenesulfonamide
CID 62156688
N-cyclopropyl-2-(cyclopropylamino)benzenesulfonamide
CID 43454646
N-cyclopropyl-2-[2-(cyclopropylamino)ethylamino]benzenesulfonamide
CID 62663053
N-cyclohexyl-2-(propylamino)benzenesulfonamide
CID 62149807
N-(1-methylpiperidin-4-yl)-2-(propylamino)benzenesulfonamide
CID 62143440
N-cyclopropyl-2-[(3-hydroxy-2-methylpropyl)amino]benzenesulfonamide
CID 65036251
N-cyclopropyl-2-(4,4,4-trifluorobutylamino)benzenesulfonamide
CID 115520486

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(2,2-dimethylbutylamino)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-2-(2,2-dimethylbutylamino)benzenesulfonamide (CID 103462650) is N-cyclopropyl-2-(2,2-dimethylbutylamino)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-2-(2,2-dimethylbutylamino)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-2-(2,2-dimethylbutylamino)benzenesulfonamide is CCC(C)(C)CNc1ccccc1S(=O)(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(2,2-dimethylbutylamino)benzenesulfonamide?
The InChIKey is PNRPYVJDHNNBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-4-15(2,3)11-16-13-7-5-6-8-14(13)20(18,19)17-12-9-10-12/h5-8,12,16-17H,4,9-11H2,1-3H3.
What are the key properties of N-cyclopropyl-2-(2,2-dimethylbutylamino)benzenesulfonamide?
N-cyclopropyl-2-(2,2-dimethylbutylamino)benzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(2,2-dimethylbutylamino)benzenesulfonamide is sourced from PubChem (CID 103462650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).