1-[[[2-cyanoethyl(methyl)sulfamoyl]amino]methyl]-2-phenoxybenzene

C17H19N3O3S — CID 86864079

IUPAC1-[[[2-cyanoethyl(methyl)sulfamoyl]amino]methyl]-2-phenoxybenzene
SMILESCN(CCC#N)S(=O)(=O)NCc1ccccc1Oc1ccccc1
InChIInChI=1S/C17H19N3O3S/c1-20(13-7-12-18)24(21,22)19-14-15-8-5-6-11-17(15)23-16-9-3-2-4-10-16/h2-6,8-11,19H,7,13-14H2,1H3
InChIKeyIVNBLCNGDXZHKA-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.66
Rot. Bonds8

About 1-[[[2-cyanoethyl(methyl)sulfamoyl]amino]methyl]-2-phenoxybenzene

1-[[[2-cyanoethyl(methyl)sulfamoyl]amino]methyl]-2-phenoxybenzene (PubChem CID 86864079) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 1-[[[2-cyanoethyl(methyl)sulfamoyl]amino]methyl]-2-phenoxybenzene.

Molecular Properties

Compound Name1-[[[2-cyanoethyl(methyl)sulfamoyl]amino]methyl]-2-phenoxybenzene
PubChem CID86864079
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name1-[[[2-cyanoethyl(methyl)sulfamoyl]amino]methyl]-2-phenoxybenzene
SMILESCN(CCC#N)S(=O)(=O)NCc1ccccc1Oc1ccccc1
InChIInChI=1S/C17H19N3O3S/c1-20(13-7-12-18)24(21,22)19-14-15-8-5-6-11-17(15)23-16-9-3-2-4-10-16/h2-6,8-11,19H,7,13-14H2,1H3
InChIKeyIVNBLCNGDXZHKA-UHFFFAOYSA-N
XLogP2.66
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[[2-cyanoethyl(methyl)sulfamoyl]amino]methyl]-3-methoxybenzene
CID 47164741
1-[2-[[2-cyanoethyl(methyl)sulfamoyl]amino]ethyl]-2-methylbenzene
CID 35309891
5-[(2-phenoxyphenyl)methylsulfonyl]pentanenitrile
CID 60527948
1-[1-[[[2-cyanoethyl(methyl)sulfamoyl]amino]methyl]cyclopentyl]-2-methoxybenzene
CID 47070253
1-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-(difluoromethoxy)benzene
CID 86931192
N,N-bis(2-cyanoethyl)-2-(2-phenoxyanilino)acetamide
CID 78822833
1-(1,2-oxazol-3-yl)-N-[(2-phenoxyphenyl)methyl]methanesulfonamide
CID 71997691
4-[(2-phenoxyphenyl)methylsulfamoyl]benzamide
CID 86864080
1-[1-[[2-cyanoethyl(methyl)sulfamoyl]amino]ethyl]naphthalene
CID 134035733
3-(methanesulfonamido)-N-[(2-phenoxyphenyl)methyl]propanamide
CID 51097793
3-[methyl-[methyl-[(2-methylphenyl)methyl]sulfamoyl]amino]propanenitrile
CID 134060157
3-[[2-(2-fluorophenoxy)ethyl-methylsulfamoyl]-methylamino]propanenitrile
CID 35431939

Frequently Asked Questions

What is the IUPAC name of 1-[[[2-cyanoethyl(methyl)sulfamoyl]amino]methyl]-2-phenoxybenzene?
The IUPAC name of 1-[[[2-cyanoethyl(methyl)sulfamoyl]amino]methyl]-2-phenoxybenzene (CID 86864079) is 1-[[[2-cyanoethyl(methyl)sulfamoyl]amino]methyl]-2-phenoxybenzene.
What is the SMILES notation for 1-[[[2-cyanoethyl(methyl)sulfamoyl]amino]methyl]-2-phenoxybenzene?
The canonical SMILES for 1-[[[2-cyanoethyl(methyl)sulfamoyl]amino]methyl]-2-phenoxybenzene is CN(CCC#N)S(=O)(=O)NCc1ccccc1Oc1ccccc1.
What is the InChIKey of 1-[[[2-cyanoethyl(methyl)sulfamoyl]amino]methyl]-2-phenoxybenzene?
The InChIKey is IVNBLCNGDXZHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-20(13-7-12-18)24(21,22)19-14-15-8-5-6-11-17(15)23-16-9-3-2-4-10-16/h2-6,8-11,19H,7,13-14H2,1H3.
What are the key properties of 1-[[[2-cyanoethyl(methyl)sulfamoyl]amino]methyl]-2-phenoxybenzene?
1-[[[2-cyanoethyl(methyl)sulfamoyl]amino]methyl]-2-phenoxybenzene has a molecular weight of 345.42 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[2-cyanoethyl(methyl)sulfamoyl]amino]methyl]-2-phenoxybenzene is sourced from PubChem (CID 86864079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).