5-chloro-2-methoxy-N-(3-methyl-1-phenylbutyl)benzenesulfonamide

C18H22ClNO3S — CID 133160729

IUPAC5-chloro-2-methoxy-N-(3-methyl-1-phenylbutyl)benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NC(CC(C)C)c1ccccc1
InChIInChI=1S/C18H22ClNO3S/c1-13(2)11-16(14-7-5-4-6-8-14)20-24(21,22)18-12-15(19)9-10-17(18)23-3/h4-10,12-13,16,20H,11H2,1-3H3
InChIKeyZOPFISAKICVWGM-UHFFFAOYSA-N
MW367.90 g/mol
LogP4.41
Rot. Bonds7

About 5-chloro-2-methoxy-N-(3-methyl-1-phenylbutyl)benzenesulfonamide

5-chloro-2-methoxy-N-(3-methyl-1-phenylbutyl)benzenesulfonamide (PubChem CID 133160729) has the molecular formula C18H22ClNO3S and a molecular weight of 367.90 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(3-methyl-1-phenylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(3-methyl-1-phenylbutyl)benzenesulfonamide
PubChem CID133160729
Molecular FormulaC18H22ClNO3S
Molecular Weight367.90 g/mol
Exact Mass367.10
IUPAC Name5-chloro-2-methoxy-N-(3-methyl-1-phenylbutyl)benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NC(CC(C)C)c1ccccc1
InChIInChI=1S/C18H22ClNO3S/c1-13(2)11-16(14-7-5-4-6-8-14)20-24(21,22)18-12-15(19)9-10-17(18)23-3/h4-10,12-13,16,20H,11H2,1-3H3
InChIKeyZOPFISAKICVWGM-UHFFFAOYSA-N
XLogP4.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.90
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-methoxy-3-[[(1R)-3-methyl-1-phenylbutyl]sulfamoyl]phenyl]acetamide
CID 9453359
N-(1-amino-4-methylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide
CID 120710742
N-(1-amino-4-methylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide;hydrochloride
CID 120710741
5-chloro-2-methoxy-N-[(2S)-2-phenylpropyl]benzenesulfonamide
CID 100551051
5-chloro-2-methoxy-N-[(3-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 133224794
N-[1,2-bis(4-methoxyphenyl)ethyl]-5-chloro-2-methoxybenzenesulfonamide
CID 56728698
3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-(4-fluorophenyl)propanoic acid
CID 25040131
N-[(2S)-1-aminopropan-2-yl]-5-chloro-2-methoxybenzenesulfonamide;hydrochloride
CID 120713181
4-chloro-2-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 50876121
5-fluoro-2-methoxy-N-[(1S)-1-phenylpropyl]benzenesulfonamide
CID 95118942
5-chloro-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-phenylethyl]-2-methoxybenzenesulfonamide
CID 56728526
4-methoxy-N-(3-methyl-1-phenylbutyl)benzenesulfonamide
CID 46764694

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(3-methyl-1-phenylbutyl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N-(3-methyl-1-phenylbutyl)benzenesulfonamide (CID 133160729) is 5-chloro-2-methoxy-N-(3-methyl-1-phenylbutyl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-(3-methyl-1-phenylbutyl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N-(3-methyl-1-phenylbutyl)benzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)NC(CC(C)C)c1ccccc1.
What is the InChIKey of 5-chloro-2-methoxy-N-(3-methyl-1-phenylbutyl)benzenesulfonamide?
The InChIKey is ZOPFISAKICVWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO3S/c1-13(2)11-16(14-7-5-4-6-8-14)20-24(21,22)18-12-15(19)9-10-17(18)23-3/h4-10,12-13,16,20H,11H2,1-3H3.
What are the key properties of 5-chloro-2-methoxy-N-(3-methyl-1-phenylbutyl)benzenesulfonamide?
5-chloro-2-methoxy-N-(3-methyl-1-phenylbutyl)benzenesulfonamide has a molecular weight of 367.90 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-(3-methyl-1-phenylbutyl)benzenesulfonamide is sourced from PubChem (CID 133160729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).