N-(3-acetylphenyl)-2,5-dimethoxybenzenesulfonamide

C16H17NO5S — CID 768881

IUPACN-(3-acetylphenyl)-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2cccc(C(C)=O)c2)c1
InChIInChI=1S/C16H17NO5S/c1-11(18)12-5-4-6-13(9-12)17-23(19,20)16-10-14(21-2)7-8-15(16)22-3/h4-10,17H,1-3H3
InChIKeyMHTPZQVFOKGNBV-UHFFFAOYSA-N
MW335.38 g/mol
LogP2.71
Rot. Bonds6

About N-(3-acetylphenyl)-2,5-dimethoxybenzenesulfonamide

N-(3-acetylphenyl)-2,5-dimethoxybenzenesulfonamide (PubChem CID 768881) has the molecular formula C16H17NO5S and a molecular weight of 335.38 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2,5-dimethoxybenzenesulfonamide
PubChem CID768881
Molecular FormulaC16H17NO5S
Molecular Weight335.38 g/mol
Exact Mass335.08
IUPAC NameN-(3-acetylphenyl)-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2cccc(C(C)=O)c2)c1
InChIInChI=1S/C16H17NO5S/c1-11(18)12-5-4-6-13(9-12)17-23(19,20)16-10-14(21-2)7-8-15(16)22-3/h4-10,17H,1-3H3
InChIKeyMHTPZQVFOKGNBV-UHFFFAOYSA-N
XLogP2.71
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 3-{[(4-methoxyphenyl)sulfonyl]amino}-4-methylbenzoate
CID 1122589
S-[2-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-2-oxoethyl] ethanethioate
CID 11280414
S-[2-[4-[(3-methoxyphenyl)sulfonylamino]phenyl]-2-oxoethyl] ethanethioate
CID 11625086
N-(4-ethylphenyl)-2,5-dimethoxybenzenesulfonamide
CID 768866
N-(3,4-dimethylphenyl)-2,5-dimethoxybenzenesulfonamide
CID 891616
2-{[(2,5-Dimethoxyphenyl)sulfonyl]amino}benzoic acid
CID 898080
Methyl 4-{[(2-methoxy-5-methylphenyl)sulfonyl]amino}benzoate
CID 967912
N-[3-(1-azepanylcarbonyl)phenyl]-3-methoxybenzenesulfonamide
CID 984910
Methyl 3-{[(3,4-dimethoxyphenyl)sulfonyl]amino}-2-methylbenzoate
CID 1006841
2,5-dimethoxy-N-(3-oxo-1,3-dihydro-2-benzofuran-5-yl)benzenesulfonamide
CID 2811663
N-[4-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]phenyl]-4-methylbenzenesulfonamide
CID 15945378
3-methoxy-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 984905

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-(3-acetylphenyl)-2,5-dimethoxybenzenesulfonamide (CID 768881) is N-(3-acetylphenyl)-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(3-acetylphenyl)-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(3-acetylphenyl)-2,5-dimethoxybenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2cccc(C(C)=O)c2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2,5-dimethoxybenzenesulfonamide?
The InChIKey is MHTPZQVFOKGNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5S/c1-11(18)12-5-4-6-13(9-12)17-23(19,20)16-10-14(21-2)7-8-15(16)22-3/h4-10,17H,1-3H3.
What are the key properties of N-(3-acetylphenyl)-2,5-dimethoxybenzenesulfonamide?
N-(3-acetylphenyl)-2,5-dimethoxybenzenesulfonamide has a molecular weight of 335.38 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 768881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).