N-methyl-N-[1-(4-methylphenyl)propan-2-yl]sulfamoyl fluoride

C11H16FNO2S — CID 154880311

IUPACN-methyl-N-[1-(4-methylphenyl)propan-2-yl]sulfamoyl fluoride
SMILESCc1ccc(CC(C)N(C)S(=O)(=O)F)cc1
InChIInChI=1S/C11H16FNO2S/c1-9-4-6-11(7-5-9)8-10(2)13(3)16(12,14)15/h4-7,10H,8H2,1-3H3
InChIKeyIMODKAKXIMZHMD-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.07
Rot. Bonds4

About N-methyl-N-[1-(4-methylphenyl)propan-2-yl]sulfamoyl fluoride

N-methyl-N-[1-(4-methylphenyl)propan-2-yl]sulfamoyl fluoride (PubChem CID 154880311) has the molecular formula C11H16FNO2S and a molecular weight of 245.32 g/mol. Its IUPAC name is N-methyl-N-[1-(4-methylphenyl)propan-2-yl]sulfamoyl fluoride.

Molecular Properties

Compound NameN-methyl-N-[1-(4-methylphenyl)propan-2-yl]sulfamoyl fluoride
PubChem CID154880311
Molecular FormulaC11H16FNO2S
Molecular Weight245.32 g/mol
Exact Mass245.09
IUPAC NameN-methyl-N-[1-(4-methylphenyl)propan-2-yl]sulfamoyl fluoride
SMILESCc1ccc(CC(C)N(C)S(=O)(=O)F)cc1
InChIInChI=1S/C11H16FNO2S/c1-9-4-6-11(7-5-9)8-10(2)13(3)16(12,14)15/h4-7,10H,8H2,1-3H3
InChIKeyIMODKAKXIMZHMD-UHFFFAOYSA-N
XLogP2.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide
CID 165361906
[4-[2-(dimethylamino)propyl]phenyl] 4-methylbenzenesulfonate
CID 87296705
2-amino-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide;hydrochloride
CID 119330274
1-methyl-4-[(2R)-2-methylbutyl]benzene
CID 59123946
1-(2,3-dimethylpentyl)-4-methylbenzene
CID 91405313
N-methyl-2-[methyl-[(2R)-1-(4-methylphenyl)propan-2-yl]amino]acetamide
CID 95633042
formaldehyde;1-methyl-4-(2-methylbutyl)benzene
CID 143236225
(2S)-1-(4-methylphenyl)butan-2-ol
CID 39236000
(2R)-1-(4-methylphenyl)butan-2-ol
CID 39235998
1-methyl-4-[[methyl(sulfamoyl)amino]methyl]benzene
CID 43132046
(2S)-2-methyl-3-(4-methylphenyl)propanal
CID 12936019
1-methyl-4-[2-(4-propan-2-ylphenyl)butyl]benzene
CID 91475154

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(4-methylphenyl)propan-2-yl]sulfamoyl fluoride?
The IUPAC name of N-methyl-N-[1-(4-methylphenyl)propan-2-yl]sulfamoyl fluoride (CID 154880311) is N-methyl-N-[1-(4-methylphenyl)propan-2-yl]sulfamoyl fluoride.
What is the SMILES notation for N-methyl-N-[1-(4-methylphenyl)propan-2-yl]sulfamoyl fluoride?
The canonical SMILES for N-methyl-N-[1-(4-methylphenyl)propan-2-yl]sulfamoyl fluoride is Cc1ccc(CC(C)N(C)S(=O)(=O)F)cc1.
What is the InChIKey of N-methyl-N-[1-(4-methylphenyl)propan-2-yl]sulfamoyl fluoride?
The InChIKey is IMODKAKXIMZHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2S/c1-9-4-6-11(7-5-9)8-10(2)13(3)16(12,14)15/h4-7,10H,8H2,1-3H3.
What are the key properties of N-methyl-N-[1-(4-methylphenyl)propan-2-yl]sulfamoyl fluoride?
N-methyl-N-[1-(4-methylphenyl)propan-2-yl]sulfamoyl fluoride has a molecular weight of 245.32 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(4-methylphenyl)propan-2-yl]sulfamoyl fluoride is sourced from PubChem (CID 154880311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).