N-[3-(methoxymethyl)phenyl]-4-methylsulfanylbenzenesulfonamide

C15H17NO3S2 — CID 95050814

IUPACN-[3-(methoxymethyl)phenyl]-4-methylsulfanylbenzenesulfonamide
SMILESCOCc1cccc(NS(=O)(=O)c2ccc(SC)cc2)c1
InChIInChI=1S/C15H17NO3S2/c1-19-11-12-4-3-5-13(10-12)16-21(17,18)15-8-6-14(20-2)7-9-15/h3-10,16H,11H2,1-2H3
InChIKeyAOJIDSNOZZTDMM-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.36
Rot. Bonds6

About N-[3-(methoxymethyl)phenyl]-4-methylsulfanylbenzenesulfonamide

N-[3-(methoxymethyl)phenyl]-4-methylsulfanylbenzenesulfonamide (PubChem CID 95050814) has the molecular formula C15H17NO3S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[3-(methoxymethyl)phenyl]-4-methylsulfanylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(methoxymethyl)phenyl]-4-methylsulfanylbenzenesulfonamide
PubChem CID95050814
Molecular FormulaC15H17NO3S2
Molecular Weight323.44 g/mol
Exact Mass323.06
IUPAC NameN-[3-(methoxymethyl)phenyl]-4-methylsulfanylbenzenesulfonamide
SMILESCOCc1cccc(NS(=O)(=O)c2ccc(SC)cc2)c1
InChIInChI=1S/C15H17NO3S2/c1-19-11-12-4-3-5-13(10-12)16-21(17,18)15-8-6-14(20-2)7-9-15/h3-10,16H,11H2,1-2H3
InChIKeyAOJIDSNOZZTDMM-UHFFFAOYSA-N
XLogP3.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-chloro-N-[3-(methoxymethyl)phenyl]benzenesulfonamide
CID 106611620
4-ethyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 7594474
4-methoxy-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 836468
4-[(4-methylsulfanylphenyl)sulfonylamino]-N-phenylbenzenesulfonamide
CID 1249295
4-fluoro-N-[3-[(4-fluorophenyl)methoxymethyl]phenyl]benzenesulfonamide
CID 1490745
N-[3-(methoxymethyl)phenyl]-4-(phenylsulfamoyl)benzamide
CID 32638750
N-[3-(methoxymethyl)phenyl]-4-methyl-3-piperazin-1-ylbenzenesulfonamide
CID 56963265
4-[[3-(methoxymethyl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43701071
N-[3-(methoxymethyl)phenyl]-4-methyl-3-piperazin-1-ylbenzenesulfonamide;hydrochloride
CID 56963264
3-(methylaminomethyl)-N-(4-methylsulfanylphenyl)benzenesulfonamide
CID 106057745
4-chloro-N-[3-(methoxymethyl)phenyl]-2-methylbenzenesulfonamide
CID 87026734
N-[[3-(methoxymethyl)phenyl]methyl]-1-(4-methylsulfanylphenyl)methanamine
CID 61003267

Frequently Asked Questions

What is the IUPAC name of N-[3-(methoxymethyl)phenyl]-4-methylsulfanylbenzenesulfonamide?
The IUPAC name of N-[3-(methoxymethyl)phenyl]-4-methylsulfanylbenzenesulfonamide (CID 95050814) is N-[3-(methoxymethyl)phenyl]-4-methylsulfanylbenzenesulfonamide.
What is the SMILES notation for N-[3-(methoxymethyl)phenyl]-4-methylsulfanylbenzenesulfonamide?
The canonical SMILES for N-[3-(methoxymethyl)phenyl]-4-methylsulfanylbenzenesulfonamide is COCc1cccc(NS(=O)(=O)c2ccc(SC)cc2)c1.
What is the InChIKey of N-[3-(methoxymethyl)phenyl]-4-methylsulfanylbenzenesulfonamide?
The InChIKey is AOJIDSNOZZTDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S2/c1-19-11-12-4-3-5-13(10-12)16-21(17,18)15-8-6-14(20-2)7-9-15/h3-10,16H,11H2,1-2H3.
What are the key properties of N-[3-(methoxymethyl)phenyl]-4-methylsulfanylbenzenesulfonamide?
N-[3-(methoxymethyl)phenyl]-4-methylsulfanylbenzenesulfonamide has a molecular weight of 323.44 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methoxymethyl)phenyl]-4-methylsulfanylbenzenesulfonamide is sourced from PubChem (CID 95050814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).