N-(3-acetyl-4-methoxyphenyl)methanesulfonamide

C10H13NO4S — CID 18615187

IUPACN-(3-acetyl-4-methoxyphenyl)methanesulfonamide
SMILESCOc1ccc(NS(C)(=O)=O)cc1C(C)=O
InChIInChI=1S/C10H13NO4S/c1-7(12)9-6-8(11-16(3,13)14)4-5-10(9)15-2/h4-6,11H,1-3H3
InChIKeyVWQSKOUQRWQHTL-UHFFFAOYSA-N
MW243.28 g/mol
LogP1.27
Rot. Bonds4

About N-(3-acetyl-4-methoxyphenyl)methanesulfonamide

N-(3-acetyl-4-methoxyphenyl)methanesulfonamide (PubChem CID 18615187) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is N-(3-acetyl-4-methoxyphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-acetyl-4-methoxyphenyl)methanesulfonamide
PubChem CID18615187
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC NameN-(3-acetyl-4-methoxyphenyl)methanesulfonamide
SMILESCOc1ccc(NS(C)(=O)=O)cc1C(C)=O
InChIInChI=1S/C10H13NO4S/c1-7(12)9-6-8(11-16(3,13)14)4-5-10(9)15-2/h4-6,11H,1-3H3
InChIKeyVWQSKOUQRWQHTL-UHFFFAOYSA-N
XLogP1.27
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-4-methoxyphenyl)methanesulfonamide
CID 10560665
N-[2-(diethylamino)ethyl]-5-(methanesulfonamido)-2-methoxybenzamide
CID 12790645
N-(2-acetyl-4,5-dimethoxyphenyl)methanesulfonamide
CID 70115907
3-acetyl-4-methoxybenzenesulfonyl chloride
CID 15579448
[5-(methanesulfonamido)-2-methoxyphenyl] 3-aminopropanoate
CID 70612631
methyl 3-acetyl-4-methoxybenzoate
CID 10798398
N-(3-acetamido-4-methoxyphenyl)-2-(methanesulfonamido)benzamide
CID 25484331
N-(4-acetamidophenyl)-2-chloro-5-(methanesulfonamido)benzamide
CID 30397176
2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-5-(methanesulfonamido)-N-methylbenzamide
CID 43910210
1-(5-bromo-2-methoxyphenyl)ethanone
CID 2757029
N-[4-(1-acetylpiperidine-4-carbonyl)-3-methoxyphenyl]methanesulfonamide
CID 15718177
5-acetamido-N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(methanesulfonamido)benzamide
CID 56516233

Frequently Asked Questions

What is the IUPAC name of N-(3-acetyl-4-methoxyphenyl)methanesulfonamide?
The IUPAC name of N-(3-acetyl-4-methoxyphenyl)methanesulfonamide (CID 18615187) is N-(3-acetyl-4-methoxyphenyl)methanesulfonamide.
What is the SMILES notation for N-(3-acetyl-4-methoxyphenyl)methanesulfonamide?
The canonical SMILES for N-(3-acetyl-4-methoxyphenyl)methanesulfonamide is COc1ccc(NS(C)(=O)=O)cc1C(C)=O.
What is the InChIKey of N-(3-acetyl-4-methoxyphenyl)methanesulfonamide?
The InChIKey is VWQSKOUQRWQHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-7(12)9-6-8(11-16(3,13)14)4-5-10(9)15-2/h4-6,11H,1-3H3.
What are the key properties of N-(3-acetyl-4-methoxyphenyl)methanesulfonamide?
N-(3-acetyl-4-methoxyphenyl)methanesulfonamide has a molecular weight of 243.28 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetyl-4-methoxyphenyl)methanesulfonamide is sourced from PubChem (CID 18615187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).