1-[(diethylsulfamoylamino)methyl]-4-(difluoromethoxy)benzene

C12H18F2N2O3S — CID 31076489

IUPAC1-[(diethylsulfamoylamino)methyl]-4-(difluoromethoxy)benzene
SMILESCCN(CC)S(=O)(=O)NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C12H18F2N2O3S/c1-3-16(4-2)20(17,18)15-9-10-5-7-11(8-6-10)19-12(13)14/h5-8,12,15H,3-4,9H2,1-2H3
InChIKeyLILXRTSXNWXQHX-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.96
Rot. Bonds8

About 1-[(diethylsulfamoylamino)methyl]-4-(difluoromethoxy)benzene

1-[(diethylsulfamoylamino)methyl]-4-(difluoromethoxy)benzene (PubChem CID 31076489) has the molecular formula C12H18F2N2O3S and a molecular weight of 308.35 g/mol. Its IUPAC name is 1-[(diethylsulfamoylamino)methyl]-4-(difluoromethoxy)benzene.

Molecular Properties

Compound Name1-[(diethylsulfamoylamino)methyl]-4-(difluoromethoxy)benzene
PubChem CID31076489
Molecular FormulaC12H18F2N2O3S
Molecular Weight308.35 g/mol
Exact Mass308.10
IUPAC Name1-[(diethylsulfamoylamino)methyl]-4-(difluoromethoxy)benzene
SMILESCCN(CC)S(=O)(=O)NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C12H18F2N2O3S/c1-3-16(4-2)20(17,18)15-9-10-5-7-11(8-6-10)19-12(13)14/h5-8,12,15H,3-4,9H2,1-2H3
InChIKeyLILXRTSXNWXQHX-UHFFFAOYSA-N
XLogP1.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-(diethylsulfamoyl)phenyl]methyl]-1-[[4-(difluoromethoxy)phenyl]methyl]-1-methylurea
CID 41249723
1-[(dipropylsulfamoylamino)methyl]-4-methoxybenzene
CID 46406417
4-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]benzenesulfonamide
CID 29350986
1-(difluoromethoxy)-4-(propylsulfonylmethyl)benzene
CID 18337001
N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 51072984
2,4-dichloro-N-[[4-(difluoromethoxy)phenyl]methyl]-5-methylbenzenesulfonamide
CID 3731125
N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-3-sulfonamide
CID 3823851
1-(difluoromethoxy)-4-ethylbenzene;ethane
CID 170568946
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 39794775
1-(difluoromethoxy)-4-ethylsulfonylbenzene
CID 71207645
N-[[4-(difluoromethoxy)phenyl]methyl]pentan-2-amine
CID 43177714
N-[[4-(difluoromethoxy)phenyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 43025858

Frequently Asked Questions

What is the IUPAC name of 1-[(diethylsulfamoylamino)methyl]-4-(difluoromethoxy)benzene?
The IUPAC name of 1-[(diethylsulfamoylamino)methyl]-4-(difluoromethoxy)benzene (CID 31076489) is 1-[(diethylsulfamoylamino)methyl]-4-(difluoromethoxy)benzene.
What is the SMILES notation for 1-[(diethylsulfamoylamino)methyl]-4-(difluoromethoxy)benzene?
The canonical SMILES for 1-[(diethylsulfamoylamino)methyl]-4-(difluoromethoxy)benzene is CCN(CC)S(=O)(=O)NCc1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[(diethylsulfamoylamino)methyl]-4-(difluoromethoxy)benzene?
The InChIKey is LILXRTSXNWXQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O3S/c1-3-16(4-2)20(17,18)15-9-10-5-7-11(8-6-10)19-12(13)14/h5-8,12,15H,3-4,9H2,1-2H3.
What are the key properties of 1-[(diethylsulfamoylamino)methyl]-4-(difluoromethoxy)benzene?
1-[(diethylsulfamoylamino)methyl]-4-(difluoromethoxy)benzene has a molecular weight of 308.35 g/mol, XLogP of 1.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(diethylsulfamoylamino)methyl]-4-(difluoromethoxy)benzene is sourced from PubChem (CID 31076489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).