N-[4-(3-methylbutanoyl)phenyl]propane-1-sulfonamide

C14H21NO3S — CID 43339119

IUPACN-[4-(3-methylbutanoyl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(C(=O)CC(C)C)cc1
InChIInChI=1S/C14H21NO3S/c1-4-9-19(17,18)15-13-7-5-12(6-8-13)14(16)10-11(2)3/h5-8,11,15H,4,9-10H2,1-3H3
InChIKeyACJLKDNJIVTGNA-UHFFFAOYSA-N
MW283.39 g/mol
LogP3.07
Rot. Bonds7

About N-[4-(3-methylbutanoyl)phenyl]propane-1-sulfonamide

N-[4-(3-methylbutanoyl)phenyl]propane-1-sulfonamide (PubChem CID 43339119) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is N-[4-(3-methylbutanoyl)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(3-methylbutanoyl)phenyl]propane-1-sulfonamide
PubChem CID43339119
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC NameN-[4-(3-methylbutanoyl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(C(=O)CC(C)C)cc1
InChIInChI=1S/C14H21NO3S/c1-4-9-19(17,18)15-13-7-5-12(6-8-13)14(16)10-11(2)3/h5-8,11,15H,4,9-10H2,1-3H3
InChIKeyACJLKDNJIVTGNA-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3-chloropropanoyl)phenyl]propane-1-sulfonamide
CID 113436723
N-[4-(3,3,3-trifluoropropanoyl)phenyl]propane-1-sulfonamide
CID 43161175
N-[4-(3,4,4-trimethylpentanoyl)phenyl]ethanesulfonamide
CID 63834820
N,N-diethyl-4-(propylsulfonylamino)benzamide
CID 60640578
N-(4-acetylphenyl)ethanesulfonamide
CID 1219330
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(propylsulfonylamino)benzamide
CID 119598442
N-[4-[(1S)-1-aminoethyl]phenyl]propane-1-sulfonamide
CID 30120117
1-(4-hexylsulfonylphenyl)-3-methylbutan-1-one
CID 94780157
N-(4-tert-butylphenyl)-4-(propylsulfonylamino)benzamide
CID 142682977
2-[4-(propylsulfonylamino)phenyl]acetic acid
CID 16786405
4-[4-(propylsulfonylamino)phenyl]pentanoic acid
CID 115420755
propyl 4-(2-methylpropylsulfonylamino)benzoate
CID 62999829

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylbutanoyl)phenyl]propane-1-sulfonamide?
The IUPAC name of N-[4-(3-methylbutanoyl)phenyl]propane-1-sulfonamide (CID 43339119) is N-[4-(3-methylbutanoyl)phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[4-(3-methylbutanoyl)phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[4-(3-methylbutanoyl)phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(C(=O)CC(C)C)cc1.
What is the InChIKey of N-[4-(3-methylbutanoyl)phenyl]propane-1-sulfonamide?
The InChIKey is ACJLKDNJIVTGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-4-9-19(17,18)15-13-7-5-12(6-8-13)14(16)10-11(2)3/h5-8,11,15H,4,9-10H2,1-3H3.
What are the key properties of N-[4-(3-methylbutanoyl)phenyl]propane-1-sulfonamide?
N-[4-(3-methylbutanoyl)phenyl]propane-1-sulfonamide has a molecular weight of 283.39 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylbutanoyl)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 43339119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).