N-ethyl-4-(pentan-2-ylamino)benzenesulfonamide

C13H22N2O2S — CID 43383375

IUPACN-ethyl-4-(pentan-2-ylamino)benzenesulfonamide
SMILESCCCC(C)Nc1ccc(S(=O)(=O)NCC)cc1
InChIInChI=1S/C13H22N2O2S/c1-4-6-11(3)15-12-7-9-13(10-8-12)18(16,17)14-5-2/h7-11,14-15H,4-6H2,1-3H3
InChIKeyRWMCWCULLCWDMR-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.59
Rot. Bonds7

About N-ethyl-4-(pentan-2-ylamino)benzenesulfonamide

N-ethyl-4-(pentan-2-ylamino)benzenesulfonamide (PubChem CID 43383375) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-ethyl-4-(pentan-2-ylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-(pentan-2-ylamino)benzenesulfonamide
PubChem CID43383375
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-ethyl-4-(pentan-2-ylamino)benzenesulfonamide
SMILESCCCC(C)Nc1ccc(S(=O)(=O)NCC)cc1
InChIInChI=1S/C13H22N2O2S/c1-4-6-11(3)15-12-7-9-13(10-8-12)18(16,17)14-5-2/h7-11,14-15H,4-6H2,1-3H3
InChIKeyRWMCWCULLCWDMR-UHFFFAOYSA-N
XLogP2.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(pentan-2-ylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454141
N-ethyl-4-(1-methylsulfonylpropan-2-ylamino)benzenesulfonamide
CID 64629339
4-(pentan-2-ylamino)benzenesulfonamide
CID 43193552
4-(hexan-2-ylamino)-N-methylbenzenesulfonamide
CID 43790312
ethyl 2-[4-(ethylsulfamoyl)anilino]propanoate
CID 61499285
N-ethyl-4-(propylamino)benzenesulfonamide
CID 43453948
N-(6-methylheptan-2-yl)-4-propylsulfonylaniline
CID 63540868
N-ethyl-4-(2-methylbutylamino)benzenesulfonamide
CID 43744675
N-ethyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]benzenesulfonamide
CID 102914045
N-octan-2-yl-4-propylsulfonylaniline
CID 63541969
4-(1-aminopentan-2-ylamino)-N-propylbenzenesulfonamide
CID 65193254
4-[(4-amino-1-methoxybutan-2-yl)amino]-N-ethylbenzenesulfonamide
CID 106154742

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(pentan-2-ylamino)benzenesulfonamide?
The IUPAC name of N-ethyl-4-(pentan-2-ylamino)benzenesulfonamide (CID 43383375) is N-ethyl-4-(pentan-2-ylamino)benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-(pentan-2-ylamino)benzenesulfonamide?
The canonical SMILES for N-ethyl-4-(pentan-2-ylamino)benzenesulfonamide is CCCC(C)Nc1ccc(S(=O)(=O)NCC)cc1.
What is the InChIKey of N-ethyl-4-(pentan-2-ylamino)benzenesulfonamide?
The InChIKey is RWMCWCULLCWDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-4-6-11(3)15-12-7-9-13(10-8-12)18(16,17)14-5-2/h7-11,14-15H,4-6H2,1-3H3.
What are the key properties of N-ethyl-4-(pentan-2-ylamino)benzenesulfonamide?
N-ethyl-4-(pentan-2-ylamino)benzenesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(pentan-2-ylamino)benzenesulfonamide is sourced from PubChem (CID 43383375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).