4-methyl-N-(4-oxo-5-phenylpentan-2-yl)benzenesulfonamide

C18H21NO3S — CID 11301998

IUPAC4-methyl-N-(4-oxo-5-phenylpentan-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)CC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C18H21NO3S/c1-14-8-10-18(11-9-14)23(21,22)19-15(2)12-17(20)13-16-6-4-3-5-7-16/h3-11,15,19H,12-13H2,1-2H3
InChIKeyYHTYHLDNBGCOIZ-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.86
Rot. Bonds7

About 4-methyl-N-(4-oxo-5-phenylpentan-2-yl)benzenesulfonamide

4-methyl-N-(4-oxo-5-phenylpentan-2-yl)benzenesulfonamide (PubChem CID 11301998) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is 4-methyl-N-(4-oxo-5-phenylpentan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(4-oxo-5-phenylpentan-2-yl)benzenesulfonamide
PubChem CID11301998
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC Name4-methyl-N-(4-oxo-5-phenylpentan-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)CC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C18H21NO3S/c1-14-8-10-18(11-9-14)23(21,22)19-15(2)12-17(20)13-16-6-4-3-5-7-16/h3-11,15,19H,12-13H2,1-2H3
InChIKeyYHTYHLDNBGCOIZ-UHFFFAOYSA-N
XLogP2.86
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(4-oxo-5-thiophen-3-ylpentan-2-yl)benzenesulfonamide
CID 11221413
4-methyl-N-[(2S)-1,1,1-trideuterio-3-phenylpropan-2-yl]benzenesulfonamide
CID 71752636
butan-2-yl 3-[(4-methylphenyl)sulfonylamino]butanoate
CID 70166955
4-methyl-N-[(2R,4R)-4-[(4-methylphenyl)sulfonylamino]pentan-2-yl]benzenesulfonamide
CID 73054079
2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoyl fluoride
CID 175585401
3-[(4-methylphenyl)sulfonylamino]butylcarbamic acid
CID 139490787
2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 3690831
benzyl (2S)-3-hydroxy-2-[(4-methylphenyl)sulfonylamino]butanoate
CID 22215096
N-(1-hydroxy-3-phenylpropan-2-yl)-4-methylbenzenesulfonamide
CID 5155581
4-(ethylamino)-1-phenylpentan-2-one
CID 116566589
4-methyl-N-[(3S)-4-oxo-1-phenylpentan-3-yl]benzenesulfonamide
CID 71199596
4-methyl-N-(1-sulfanylpropan-2-yl)benzenesulfonamide
CID 22711650

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-oxo-5-phenylpentan-2-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(4-oxo-5-phenylpentan-2-yl)benzenesulfonamide (CID 11301998) is 4-methyl-N-(4-oxo-5-phenylpentan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(4-oxo-5-phenylpentan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(4-oxo-5-phenylpentan-2-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NC(C)CC(=O)Cc2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-(4-oxo-5-phenylpentan-2-yl)benzenesulfonamide?
The InChIKey is YHTYHLDNBGCOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-14-8-10-18(11-9-14)23(21,22)19-15(2)12-17(20)13-16-6-4-3-5-7-16/h3-11,15,19H,12-13H2,1-2H3.
What are the key properties of 4-methyl-N-(4-oxo-5-phenylpentan-2-yl)benzenesulfonamide?
4-methyl-N-(4-oxo-5-phenylpentan-2-yl)benzenesulfonamide has a molecular weight of 331.44 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-oxo-5-phenylpentan-2-yl)benzenesulfonamide is sourced from PubChem (CID 11301998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).