N-pentan-2-yl-3-propanoylbenzenesulfonamide

C14H21NO3S — CID 60872867

IUPACN-pentan-2-yl-3-propanoylbenzenesulfonamide
SMILESCCCC(C)NS(=O)(=O)c1cccc(C(=O)CC)c1
InChIInChI=1S/C14H21NO3S/c1-4-7-11(3)15-19(17,18)13-9-6-8-12(10-13)14(16)5-2/h6,8-11,15H,4-5,7H2,1-3H3
InChIKeyGAJHDNIQLKZIKJ-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.75
Rot. Bonds7

About N-pentan-2-yl-3-propanoylbenzenesulfonamide

N-pentan-2-yl-3-propanoylbenzenesulfonamide (PubChem CID 60872867) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is N-pentan-2-yl-3-propanoylbenzenesulfonamide.

Molecular Properties

Compound NameN-pentan-2-yl-3-propanoylbenzenesulfonamide
PubChem CID60872867
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC NameN-pentan-2-yl-3-propanoylbenzenesulfonamide
SMILESCCCC(C)NS(=O)(=O)c1cccc(C(=O)CC)c1
InChIInChI=1S/C14H21NO3S/c1-4-7-11(3)15-19(17,18)13-9-6-8-12(10-13)14(16)5-2/h6,8-11,15H,4-5,7H2,1-3H3
InChIKeyGAJHDNIQLKZIKJ-UHFFFAOYSA-N
XLogP2.75
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-hexan-2-yl-3-propanoylbenzenesulfonamide
CID 62200821
3-acetyl-N-hexan-2-ylbenzenesulfonamide
CID 62200637
3-(heptan-2-ylsulfamoyl)benzoic acid
CID 43398472
N-[1-(furan-2-yl)ethyl]-3-propanoylbenzenesulfonamide
CID 60873627
3-bromo-N-[(2S)-pentan-2-yl]benzenesulfonamide
CID 92510419
N-(2-methylbutyl)-3-propanoylbenzenesulfonamide
CID 62691641
3-(butan-2-ylsulfamoyl)-N-butylbenzamide
CID 109062541
N-(4-hydroxy-1-methoxybutan-2-yl)-3-propanoylbenzenesulfonamide
CID 103887543
N-(3-ethylpentan-3-yl)-3-propanoylbenzenesulfonamide
CID 65042545
3-propanoyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 103854212
N-(2,2-difluoroethyl)-3-propanoylbenzenesulfonamide
CID 115282992
3-propanoyl-N-(2,2,3-trimethylbutyl)benzenesulfonamide
CID 102609392

Frequently Asked Questions

What is the IUPAC name of N-pentan-2-yl-3-propanoylbenzenesulfonamide?
The IUPAC name of N-pentan-2-yl-3-propanoylbenzenesulfonamide (CID 60872867) is N-pentan-2-yl-3-propanoylbenzenesulfonamide.
What is the SMILES notation for N-pentan-2-yl-3-propanoylbenzenesulfonamide?
The canonical SMILES for N-pentan-2-yl-3-propanoylbenzenesulfonamide is CCCC(C)NS(=O)(=O)c1cccc(C(=O)CC)c1.
What is the InChIKey of N-pentan-2-yl-3-propanoylbenzenesulfonamide?
The InChIKey is GAJHDNIQLKZIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-4-7-11(3)15-19(17,18)13-9-6-8-12(10-13)14(16)5-2/h6,8-11,15H,4-5,7H2,1-3H3.
What are the key properties of N-pentan-2-yl-3-propanoylbenzenesulfonamide?
N-pentan-2-yl-3-propanoylbenzenesulfonamide has a molecular weight of 283.39 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-2-yl-3-propanoylbenzenesulfonamide is sourced from PubChem (CID 60872867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).