1-(dimethylsulfamoylamino)-3-fluoro-2-methylbenzene

C9H13FN2O2S — CID 1250967

IUPAC1-(dimethylsulfamoylamino)-3-fluoro-2-methylbenzene
SMILESCc1c(F)cccc1NS(=O)(=O)N(C)C
InChIInChI=1S/C9H13FN2O2S/c1-7-8(10)5-4-6-9(7)11-15(13,14)12(2)3/h4-6,11H,1-3H3
InChIKeyASUAOTJFCDOPEQ-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.35
Rot. Bonds3

About 1-(dimethylsulfamoylamino)-3-fluoro-2-methylbenzene

1-(dimethylsulfamoylamino)-3-fluoro-2-methylbenzene (PubChem CID 1250967) has the molecular formula C9H13FN2O2S and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-(dimethylsulfamoylamino)-3-fluoro-2-methylbenzene.

Molecular Properties

Compound Name1-(dimethylsulfamoylamino)-3-fluoro-2-methylbenzene
PubChem CID1250967
Molecular FormulaC9H13FN2O2S
Molecular Weight232.28 g/mol
Exact Mass232.07
IUPAC Name1-(dimethylsulfamoylamino)-3-fluoro-2-methylbenzene
SMILESCc1c(F)cccc1NS(=O)(=O)N(C)C
InChIInChI=1S/C9H13FN2O2S/c1-7-8(10)5-4-6-9(7)11-15(13,14)12(2)3/h4-6,11H,1-3H3
InChIKeyASUAOTJFCDOPEQ-UHFFFAOYSA-N
XLogP1.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Tolylfluanid
CID 12898
N,N-Dimethyl-N'-p-tolylsulphamide
CID 738302
Sulfamide, N,N-dimethyl-N'-phenyl-
CID 78441
3-Fluoro-2-methylaniline
CID 285553
methylaminosulfotoluidide (IX)
CID 25044572
(4-Trifluoromethylphenyl)sulfamide
CID 10421755
4-Fluoro-2-methylaniline
CID 67982
[(Dimethylamino)sulfonyl](2-fluorophenyl)amine
CID 842582
Mls002638339
CID 224941
Sulfamide, (4-methylphenyl)-(9CI)
CID 10313432
(4-Azaniumyl-2-methylphenyl)azanium;sulfate
CID 12106252
2-((Dimethylamino)methyl)aniline
CID 12586115

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylsulfamoylamino)-3-fluoro-2-methylbenzene?
The IUPAC name of 1-(dimethylsulfamoylamino)-3-fluoro-2-methylbenzene (CID 1250967) is 1-(dimethylsulfamoylamino)-3-fluoro-2-methylbenzene.
What is the SMILES notation for 1-(dimethylsulfamoylamino)-3-fluoro-2-methylbenzene?
The canonical SMILES for 1-(dimethylsulfamoylamino)-3-fluoro-2-methylbenzene is Cc1c(F)cccc1NS(=O)(=O)N(C)C.
What is the InChIKey of 1-(dimethylsulfamoylamino)-3-fluoro-2-methylbenzene?
The InChIKey is ASUAOTJFCDOPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O2S/c1-7-8(10)5-4-6-9(7)11-15(13,14)12(2)3/h4-6,11H,1-3H3.
What are the key properties of 1-(dimethylsulfamoylamino)-3-fluoro-2-methylbenzene?
1-(dimethylsulfamoylamino)-3-fluoro-2-methylbenzene has a molecular weight of 232.28 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylsulfamoylamino)-3-fluoro-2-methylbenzene is sourced from PubChem (CID 1250967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).