N-hexan-2-yl-3-propanoylbenzenesulfonamide

C15H23NO3S — CID 62200821

IUPACN-hexan-2-yl-3-propanoylbenzenesulfonamide
SMILESCCCCC(C)NS(=O)(=O)c1cccc(C(=O)CC)c1
InChIInChI=1S/C15H23NO3S/c1-4-6-8-12(3)16-20(18,19)14-10-7-9-13(11-14)15(17)5-2/h7,9-12,16H,4-6,8H2,1-3H3
InChIKeyNKNLSBXXSHRSBM-UHFFFAOYSA-N
MW297.42 g/mol
LogP3.14
Rot. Bonds8

About N-hexan-2-yl-3-propanoylbenzenesulfonamide

N-hexan-2-yl-3-propanoylbenzenesulfonamide (PubChem CID 62200821) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-hexan-2-yl-3-propanoylbenzenesulfonamide.

Molecular Properties

Compound NameN-hexan-2-yl-3-propanoylbenzenesulfonamide
PubChem CID62200821
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC NameN-hexan-2-yl-3-propanoylbenzenesulfonamide
SMILESCCCCC(C)NS(=O)(=O)c1cccc(C(=O)CC)c1
InChIInChI=1S/C15H23NO3S/c1-4-6-8-12(3)16-20(18,19)14-10-7-9-13(11-14)15(17)5-2/h7,9-12,16H,4-6,8H2,1-3H3
InChIKeyNKNLSBXXSHRSBM-UHFFFAOYSA-N
XLogP3.14
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-pentan-2-yl-3-propanoylbenzenesulfonamide
CID 60872867
3-acetyl-N-hexan-2-ylbenzenesulfonamide
CID 62200637
3-(heptan-2-ylsulfamoyl)benzoic acid
CID 43398472
N-heptan-2-yl-3-(1-hydroxyethyl)benzenesulfonamide
CID 61466426
N-[1-(furan-2-yl)ethyl]-3-propanoylbenzenesulfonamide
CID 60873627
3-(butan-2-ylsulfamoyl)-N-butylbenzamide
CID 109062541
3-[3-(hexan-2-ylsulfamoyl)phenyl]prop-2-enoic acid
CID 76936994
N-(2-methylbutyl)-3-propanoylbenzenesulfonamide
CID 62691641
2-[(3-acetylphenyl)sulfonylamino]hexanoic acid
CID 43386720
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

Frequently Asked Questions

What is the IUPAC name of N-hexan-2-yl-3-propanoylbenzenesulfonamide?
The IUPAC name of N-hexan-2-yl-3-propanoylbenzenesulfonamide (CID 62200821) is N-hexan-2-yl-3-propanoylbenzenesulfonamide.
What is the SMILES notation for N-hexan-2-yl-3-propanoylbenzenesulfonamide?
The canonical SMILES for N-hexan-2-yl-3-propanoylbenzenesulfonamide is CCCCC(C)NS(=O)(=O)c1cccc(C(=O)CC)c1.
What is the InChIKey of N-hexan-2-yl-3-propanoylbenzenesulfonamide?
The InChIKey is NKNLSBXXSHRSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-4-6-8-12(3)16-20(18,19)14-10-7-9-13(11-14)15(17)5-2/h7,9-12,16H,4-6,8H2,1-3H3.
What are the key properties of N-hexan-2-yl-3-propanoylbenzenesulfonamide?
N-hexan-2-yl-3-propanoylbenzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-2-yl-3-propanoylbenzenesulfonamide is sourced from PubChem (CID 62200821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).