N,N-dimethyl-4-[[(E)-2-phenylethenyl]sulfonylamino]benzenesulfonamide

C16H18N2O4S2 — CID 2077990

IUPACN,N-dimethyl-4-[[(E)-2-phenylethenyl]sulfonylamino]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C16H18N2O4S2/c1-18(2)24(21,22)16-10-8-15(9-11-16)17-23(19,20)13-12-14-6-4-3-5-7-14/h3-13,17H,1-2H3/b13-12+
InChIKeyMOVXAFKSRWGBBY-OUKQBFOZSA-N
MW366.46 g/mol
LogP2.35
Rot. Bonds6

About N,N-dimethyl-4-[[(E)-2-phenylethenyl]sulfonylamino]benzenesulfonamide

N,N-dimethyl-4-[[(E)-2-phenylethenyl]sulfonylamino]benzenesulfonamide (PubChem CID 2077990) has the molecular formula C16H18N2O4S2 and a molecular weight of 366.46 g/mol. Its IUPAC name is N,N-dimethyl-4-[[(E)-2-phenylethenyl]sulfonylamino]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[(E)-2-phenylethenyl]sulfonylamino]benzenesulfonamide
PubChem CID2077990
Molecular FormulaC16H18N2O4S2
Molecular Weight366.46 g/mol
Exact Mass366.07
IUPAC NameN,N-dimethyl-4-[[(E)-2-phenylethenyl]sulfonylamino]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C16H18N2O4S2/c1-18(2)24(21,22)16-10-8-15(9-11-16)17-23(19,20)13-12-14-6-4-3-5-7-14/h3-13,17H,1-2H3/b13-12+
InChIKeyMOVXAFKSRWGBBY-OUKQBFOZSA-N
XLogP2.35
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-((Phenylmethyl)amino)benzenesulfonamide
CID 2755709
p-Toluenesulfono-o-toluidide
CID 66457
Benzenesulfonamide, 4-methyl-N-phenyl-
CID 2456
Disulphane
CID 68351
4-amino-N-benzylbenzene-1-sulfonamide
CID 66909
N-(4-butylphenyl)-4-fluorobenzenesulfonamide
CID 2843133
4-Methyl-N-(4-methylphenyl)benzenesulfonamide
CID 69034
N,1-diphenylmethanesulfonamide
CID 669287
Benzenesulfono-o-toluidide
CID 87657
N,N'-(2-Methyl-1,4-phenylene)bis(benzenesulfonamide)
CID 261836
Sulfatolamide
CID 3034019
4-Benzenesulfonylamino-benzenesulfonamide
CID 822774

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[(E)-2-phenylethenyl]sulfonylamino]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[[(E)-2-phenylethenyl]sulfonylamino]benzenesulfonamide (CID 2077990) is N,N-dimethyl-4-[[(E)-2-phenylethenyl]sulfonylamino]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[[(E)-2-phenylethenyl]sulfonylamino]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[[(E)-2-phenylethenyl]sulfonylamino]benzenesulfonamide is CN(C)S(=O)(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1.
What is the InChIKey of N,N-dimethyl-4-[[(E)-2-phenylethenyl]sulfonylamino]benzenesulfonamide?
The InChIKey is MOVXAFKSRWGBBY-OUKQBFOZSA-N. The full InChI is InChI=1S/C16H18N2O4S2/c1-18(2)24(21,22)16-10-8-15(9-11-16)17-23(19,20)13-12-14-6-4-3-5-7-14/h3-13,17H,1-2H3/b13-12+.
What are the key properties of N,N-dimethyl-4-[[(E)-2-phenylethenyl]sulfonylamino]benzenesulfonamide?
N,N-dimethyl-4-[[(E)-2-phenylethenyl]sulfonylamino]benzenesulfonamide has a molecular weight of 366.46 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[(E)-2-phenylethenyl]sulfonylamino]benzenesulfonamide is sourced from PubChem (CID 2077990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).