benzenesulfonamide;2,3-dimethoxybenzenesulfonamide;4-methylbenzenesulfonamide;phenylmethanesulfonamide

C28H36N4O10S4 — CID 70247303

IUPACbenzenesulfonamide;2,3-dimethoxybenzenesulfonamide;4-methylbenzenesulfonamide;phenylmethanesulfonamide
SMILESCOc1cccc(S(N)(=O)=O)c1OC.Cc1ccc(S(N)(=O)=O)cc1.NS(=O)(=O)Cc1ccccc1.NS(=O)(=O)c1ccccc1
InChIInChI=1S/C8H11NO4S.2C7H9NO2S.C6H7NO2S/c1-12-6-4-3-5-7(8(6)13-2)14(9,10)11;1-6-2-4-7(5-3-6)11(8,9)10;8-11(9,10)6-7-4-2-1-3-5-7;7-10(8,9)6-4-2-1-3-5-6/h3-5H,1-2H3,(H2,9,10,11);2-5H,1H3,(H2,8,9,10);1-5H,6H2,(H2,8,9,10);1-5H,(H2,7,8,9)
InChIKeyUMGGYDKJKUDWAZ-UHFFFAOYSA-N
MW716.88 g/mol
LogP1.80
Rot. Bonds7

About benzenesulfonamide;2,3-dimethoxybenzenesulfonamide;4-methylbenzenesulfonamide;phenylmethanesulfonamide

benzenesulfonamide;2,3-dimethoxybenzenesulfonamide;4-methylbenzenesulfonamide;phenylmethanesulfonamide (PubChem CID 70247303) has the molecular formula C28H36N4O10S4 and a molecular weight of 716.88 g/mol. Its IUPAC name is benzenesulfonamide;2,3-dimethoxybenzenesulfonamide;4-methylbenzenesulfonamide;phenylmethanesulfonamide.

Molecular Properties

Compound Namebenzenesulfonamide;2,3-dimethoxybenzenesulfonamide;4-methylbenzenesulfonamide;phenylmethanesulfonamide
PubChem CID70247303
Molecular FormulaC28H36N4O10S4
Molecular Weight716.88 g/mol
Exact Mass716.13
IUPAC Namebenzenesulfonamide;2,3-dimethoxybenzenesulfonamide;4-methylbenzenesulfonamide;phenylmethanesulfonamide
SMILESCOc1cccc(S(N)(=O)=O)c1OC.Cc1ccc(S(N)(=O)=O)cc1.NS(=O)(=O)Cc1ccccc1.NS(=O)(=O)c1ccccc1
InChIInChI=1S/C8H11NO4S.2C7H9NO2S.C6H7NO2S/c1-12-6-4-3-5-7(8(6)13-2)14(9,10)11;1-6-2-4-7(5-3-6)11(8,9)10;8-11(9,10)6-7-4-2-1-3-5-7;7-10(8,9)6-4-2-1-3-5-6/h3-5H,1-2H3,(H2,9,10,11);2-5H,1H3,(H2,8,9,10);1-5H,6H2,(H2,8,9,10);1-5H,(H2,7,8,9)
InChIKeyUMGGYDKJKUDWAZ-UHFFFAOYSA-N
XLogP1.80
TPSA259.10 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500716.88
LogP ≤ 51.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Related Compounds

2,3-dimethoxybenzenesulfonamide;hydrochloride
CID 142896136
2-methoxy-1-(4-methylphenyl)sulfonyl-3-phenylmethoxybenzene
CID 141431918
CID 68896583
CID 68896583
azane;phenylmethanesulfonamide
CID 67842568
2-methoxy-3-[(2-methoxyphenyl)sulfonylamino]benzenesulfonamide
CID 168867113
bis(4-methylbenzenesulfonamide);selane
CID 173300479
methane;4-methylbenzenesulfonamide
CID 66673954
phenylmethanesulfonamide;sulfuryl dichloride
CID 174345826
2-fluoro-3-methoxybenzenesulfonamide
CID 82811316
4-[2-benzyl-4-(2,6-dimethoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide
CID 18701737
3-(2,3-dimethoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 22108283
(3-bromo-4,5-dimethoxyphenyl)methanesulfonamide
CID 165443466

Frequently Asked Questions

What is the IUPAC name of benzenesulfonamide;2,3-dimethoxybenzenesulfonamide;4-methylbenzenesulfonamide;phenylmethanesulfonamide?
The IUPAC name of benzenesulfonamide;2,3-dimethoxybenzenesulfonamide;4-methylbenzenesulfonamide;phenylmethanesulfonamide (CID 70247303) is benzenesulfonamide;2,3-dimethoxybenzenesulfonamide;4-methylbenzenesulfonamide;phenylmethanesulfonamide.
What is the SMILES notation for benzenesulfonamide;2,3-dimethoxybenzenesulfonamide;4-methylbenzenesulfonamide;phenylmethanesulfonamide?
The canonical SMILES for benzenesulfonamide;2,3-dimethoxybenzenesulfonamide;4-methylbenzenesulfonamide;phenylmethanesulfonamide is COc1cccc(S(N)(=O)=O)c1OC.Cc1ccc(S(N)(=O)=O)cc1.NS(=O)(=O)Cc1ccccc1.NS(=O)(=O)c1ccccc1.
What is the InChIKey of benzenesulfonamide;2,3-dimethoxybenzenesulfonamide;4-methylbenzenesulfonamide;phenylmethanesulfonamide?
The InChIKey is UMGGYDKJKUDWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4S.2C7H9NO2S.C6H7NO2S/c1-12-6-4-3-5-7(8(6)13-2)14(9,10)11;1-6-2-4-7(5-3-6)11(8,9)10;8-11(9,10)6-7-4-2-1-3-5-7;7-10(8,9)6-4-2-1-3-5-6/h3-5H,1-2H3,(H2,9,10,11);2-5H,1H3,(H2,8,9,10);1-5H,6H2,(H2,8,9,10);1-5H,(H2,7,8,9).
What are the key properties of benzenesulfonamide;2,3-dimethoxybenzenesulfonamide;4-methylbenzenesulfonamide;phenylmethanesulfonamide?
benzenesulfonamide;2,3-dimethoxybenzenesulfonamide;4-methylbenzenesulfonamide;phenylmethanesulfonamide has a molecular weight of 716.88 g/mol, XLogP of 1.80, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for benzenesulfonamide;2,3-dimethoxybenzenesulfonamide;4-methylbenzenesulfonamide;phenylmethanesulfonamide is sourced from PubChem (CID 70247303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).