3-methoxy-N,N-dimethylbenzenesulfonamide

C9H13NO3S — CID 14774741

IUPAC3-methoxy-N,N-dimethylbenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C9H13NO3S/c1-10(2)14(11,12)9-6-4-5-8(7-9)13-3/h4-7H,1-3H3
InChIKeyBLXHSMNAGNIQEY-UHFFFAOYSA-N
MW215.27 g/mol
LogP0.95
Rot. Bonds3

About 3-methoxy-N,N-dimethylbenzenesulfonamide

3-methoxy-N,N-dimethylbenzenesulfonamide (PubChem CID 14774741) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is 3-methoxy-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-methoxy-N,N-dimethylbenzenesulfonamide
PubChem CID14774741
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Name3-methoxy-N,N-dimethylbenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C9H13NO3S/c1-10(2)14(11,12)9-6-4-5-8(7-9)13-3/h4-7H,1-3H3
InChIKeyBLXHSMNAGNIQEY-UHFFFAOYSA-N
XLogP0.95
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methoxybenzenesulfonamide
CID 70789
4-Propoxybenzenesulfonamide
CID 21978067
4-Butoxybenzenesulfonamide
CID 2049187
4-Ethoxybenzenesulfonamide
CID 3724005
1-[(4-Methoxyphenyl)sulfonyl]-4-methylpiperazine
CID 676048
4-Methoxybenzenesulfonyl chloride
CID 7401
N-hydroxy-4-methoxybenzene-1-sulfonamide
CID 12635073
4-(Allyloxy)benzenesulfonamide
CID 18668331
1-Ethyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 843240
1-(4-Methoxy-benzenesulfonyl)-2-methyl-piperidine
CID 2843045
N-ethyl-2,5-dimethoxybenzenesulfonamide
CID 729552
N,N-diethyl-4-phenoxybenzenesulfonamide
CID 802736

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-methoxy-N,N-dimethylbenzenesulfonamide (CID 14774741) is 3-methoxy-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-methoxy-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-methoxy-N,N-dimethylbenzenesulfonamide is COc1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 3-methoxy-N,N-dimethylbenzenesulfonamide?
The InChIKey is BLXHSMNAGNIQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-10(2)14(11,12)9-6-4-5-8(7-9)13-3/h4-7H,1-3H3.
What are the key properties of 3-methoxy-N,N-dimethylbenzenesulfonamide?
3-methoxy-N,N-dimethylbenzenesulfonamide has a molecular weight of 215.27 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 14774741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).