1-(dimethylsulfamoylamino)-4-methylbenzene

C9H14N2O2S — CID 738302

IUPAC1-(dimethylsulfamoylamino)-4-methylbenzene
SMILESCc1ccc(NS(=O)(=O)N(C)C)cc1
InChIInChI=1S/C9H14N2O2S/c1-8-4-6-9(7-5-8)10-14(12,13)11(2)3/h4-7,10H,1-3H3
InChIKeyUDCDOJQOXWCCSD-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.21
Rot. Bonds3

About 1-(dimethylsulfamoylamino)-4-methylbenzene

1-(dimethylsulfamoylamino)-4-methylbenzene (PubChem CID 738302) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 1-(dimethylsulfamoylamino)-4-methylbenzene.

Molecular Properties

Compound Name1-(dimethylsulfamoylamino)-4-methylbenzene
PubChem CID738302
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name1-(dimethylsulfamoylamino)-4-methylbenzene
SMILESCc1ccc(NS(=O)(=O)N(C)C)cc1
InChIInChI=1S/C9H14N2O2S/c1-8-4-6-9(7-5-8)10-14(12,13)11(2)3/h4-7,10H,1-3H3
InChIKeyUDCDOJQOXWCCSD-UHFFFAOYSA-N
XLogP1.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylsulfamoylamino)-4-methylbenzene?
The IUPAC name of 1-(dimethylsulfamoylamino)-4-methylbenzene (CID 738302) is 1-(dimethylsulfamoylamino)-4-methylbenzene.
What is the SMILES notation for 1-(dimethylsulfamoylamino)-4-methylbenzene?
The canonical SMILES for 1-(dimethylsulfamoylamino)-4-methylbenzene is Cc1ccc(NS(=O)(=O)N(C)C)cc1.
What is the InChIKey of 1-(dimethylsulfamoylamino)-4-methylbenzene?
The InChIKey is UDCDOJQOXWCCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-8-4-6-9(7-5-8)10-14(12,13)11(2)3/h4-7,10H,1-3H3.
What are the key properties of 1-(dimethylsulfamoylamino)-4-methylbenzene?
1-(dimethylsulfamoylamino)-4-methylbenzene has a molecular weight of 214.29 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylsulfamoylamino)-4-methylbenzene is sourced from PubChem (CID 738302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).