N-methyl-4-[4-(methylsulfamoyl)phenoxy]benzenesulfonamide

C14H16N2O5S2 — CID 1076679

IUPACN-methyl-4-[4-(methylsulfamoyl)phenoxy]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)NC)cc2)cc1
InChIInChI=1S/C14H16N2O5S2/c1-15-22(17,18)13-7-3-11(4-8-13)21-12-5-9-14(10-6-12)23(19,20)16-2/h3-10,15-16H,1-2H3
InChIKeySLJKNDUEUIIMDU-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.30
Rot. Bonds6

About N-methyl-4-[4-(methylsulfamoyl)phenoxy]benzenesulfonamide

N-methyl-4-[4-(methylsulfamoyl)phenoxy]benzenesulfonamide (PubChem CID 1076679) has the molecular formula C14H16N2O5S2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-methyl-4-[4-(methylsulfamoyl)phenoxy]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-[4-(methylsulfamoyl)phenoxy]benzenesulfonamide
PubChem CID1076679
Molecular FormulaC14H16N2O5S2
Molecular Weight356.43 g/mol
Exact Mass356.05
IUPAC NameN-methyl-4-[4-(methylsulfamoyl)phenoxy]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)NC)cc2)cc1
InChIInChI=1S/C14H16N2O5S2/c1-15-22(17,18)13-7-3-11(4-8-13)21-12-5-9-14(10-6-12)23(19,20)16-2/h3-10,15-16H,1-2H3
InChIKeySLJKNDUEUIIMDU-UHFFFAOYSA-N
XLogP1.30
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

p,p'-Oxybis(benzenesulfonyl hydrazide)
CID 6649
4-Methoxybenzenesulfonamide
CID 70789
Bis(4-chlorosulfonylphenyl) ether
CID 8484
4-Propoxybenzenesulfonamide
CID 21978067
4-Butoxybenzenesulfonamide
CID 2049187
4-Ethoxybenzenesulfonamide
CID 3724005
4-Ethoxybenzene-1-sulfonohydrazide
CID 2063483
4-(Allyloxy)benzenesulfonamide
CID 18668331
2,3,5,6-Tetrafluoro-4-phenoxybenzenesulfonamide
CID 71584327
N,N-diethyl-4-phenoxybenzenesulfonamide
CID 802736
Benzenesulfonamide, 4,4'-oxybis-
CID 82054
4-Phenoxybenzenesulfonamide
CID 838564

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-(methylsulfamoyl)phenoxy]benzenesulfonamide?
The IUPAC name of N-methyl-4-[4-(methylsulfamoyl)phenoxy]benzenesulfonamide (CID 1076679) is N-methyl-4-[4-(methylsulfamoyl)phenoxy]benzenesulfonamide.
What is the SMILES notation for N-methyl-4-[4-(methylsulfamoyl)phenoxy]benzenesulfonamide?
The canonical SMILES for N-methyl-4-[4-(methylsulfamoyl)phenoxy]benzenesulfonamide is CNS(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)NC)cc2)cc1.
What is the InChIKey of N-methyl-4-[4-(methylsulfamoyl)phenoxy]benzenesulfonamide?
The InChIKey is SLJKNDUEUIIMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5S2/c1-15-22(17,18)13-7-3-11(4-8-13)21-12-5-9-14(10-6-12)23(19,20)16-2/h3-10,15-16H,1-2H3.
What are the key properties of N-methyl-4-[4-(methylsulfamoyl)phenoxy]benzenesulfonamide?
N-methyl-4-[4-(methylsulfamoyl)phenoxy]benzenesulfonamide has a molecular weight of 356.43 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-(methylsulfamoyl)phenoxy]benzenesulfonamide is sourced from PubChem (CID 1076679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).