2-[(dimethylsulfamoylamino)methyl]-4-fluoro-1-methoxybenzene

C10H15FN2O3S — CID 110780219

IUPAC2-[(dimethylsulfamoylamino)methyl]-4-fluoro-1-methoxybenzene
SMILESCOc1ccc(F)cc1CNS(=O)(=O)N(C)C
InChIInChI=1S/C10H15FN2O3S/c1-13(2)17(14,15)12-7-8-6-9(11)4-5-10(8)16-3/h4-6,12H,7H2,1-3H3
InChIKeyGRMYTBNQTSXRPX-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.73
Rot. Bonds5

About 2-[(dimethylsulfamoylamino)methyl]-4-fluoro-1-methoxybenzene

2-[(dimethylsulfamoylamino)methyl]-4-fluoro-1-methoxybenzene (PubChem CID 110780219) has the molecular formula C10H15FN2O3S and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[(dimethylsulfamoylamino)methyl]-4-fluoro-1-methoxybenzene.

Molecular Properties

Compound Name2-[(dimethylsulfamoylamino)methyl]-4-fluoro-1-methoxybenzene
PubChem CID110780219
Molecular FormulaC10H15FN2O3S
Molecular Weight262.31 g/mol
Exact Mass262.08
IUPAC Name2-[(dimethylsulfamoylamino)methyl]-4-fluoro-1-methoxybenzene
SMILESCOc1ccc(F)cc1CNS(=O)(=O)N(C)C
InChIInChI=1S/C10H15FN2O3S/c1-13(2)17(14,15)12-7-8-6-9(11)4-5-10(8)16-3/h4-6,12H,7H2,1-3H3
InChIKeyGRMYTBNQTSXRPX-UHFFFAOYSA-N
XLogP0.73
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(dimethylsulfamoylamino)methyl]-1-methoxy-4-methylbenzene
CID 35606173
N-[(5-fluoro-2-methoxyphenyl)methyl]methanesulfonamide
CID 110780215
1-[(dimethylsulfamoylamino)methyl]-4-methoxy-2,5-dimethylbenzene
CID 110780838
N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluorobenzenesulfonamide
CID 110780300
5-[(dimethylsulfamoylamino)methyl]-1,2,3-trimethoxybenzene
CID 35313454
4-fluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]aniline
CID 82131275
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 82126804
2-[(5-fluoro-2-methoxyphenyl)methylamino]acetonitrile
CID 115130950
1-[2-(dimethylsulfamoylamino)ethyl]-2,4-difluorobenzene
CID 110789026
3-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]propanoic acid
CID 60988210
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-oxopropanamide
CID 115175593
2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]ethanethiol
CID 115224056

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylsulfamoylamino)methyl]-4-fluoro-1-methoxybenzene?
The IUPAC name of 2-[(dimethylsulfamoylamino)methyl]-4-fluoro-1-methoxybenzene (CID 110780219) is 2-[(dimethylsulfamoylamino)methyl]-4-fluoro-1-methoxybenzene.
What is the SMILES notation for 2-[(dimethylsulfamoylamino)methyl]-4-fluoro-1-methoxybenzene?
The canonical SMILES for 2-[(dimethylsulfamoylamino)methyl]-4-fluoro-1-methoxybenzene is COc1ccc(F)cc1CNS(=O)(=O)N(C)C.
What is the InChIKey of 2-[(dimethylsulfamoylamino)methyl]-4-fluoro-1-methoxybenzene?
The InChIKey is GRMYTBNQTSXRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O3S/c1-13(2)17(14,15)12-7-8-6-9(11)4-5-10(8)16-3/h4-6,12H,7H2,1-3H3.
What are the key properties of 2-[(dimethylsulfamoylamino)methyl]-4-fluoro-1-methoxybenzene?
2-[(dimethylsulfamoylamino)methyl]-4-fluoro-1-methoxybenzene has a molecular weight of 262.31 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylsulfamoylamino)methyl]-4-fluoro-1-methoxybenzene is sourced from PubChem (CID 110780219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).