1-ethyl-2-methylbenzene;sulfamide

C9H16N2O2S — CID 67800161

IUPAC1-ethyl-2-methylbenzene;sulfamide
SMILESCCc1ccccc1C.NS(N)(=O)=O
InChIInChI=1S/C9H12.H4N2O2S/c1-3-9-7-5-4-6-8(9)2;1-5(2,3)4/h4-7H,3H2,1-2H3;(H4,1,2,3,4)
InChIKeyLCOAUVKBPUBKJX-UHFFFAOYSA-N
MW216.31 g/mol
LogP0.71
Rot. Bonds1

About 1-ethyl-2-methylbenzene;sulfamide

1-ethyl-2-methylbenzene;sulfamide (PubChem CID 67800161) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 1-ethyl-2-methylbenzene;sulfamide.

Molecular Properties

Compound Name1-ethyl-2-methylbenzene;sulfamide
PubChem CID67800161
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Name1-ethyl-2-methylbenzene;sulfamide
SMILESCCc1ccccc1C.NS(N)(=O)=O
InChIInChI=1S/C9H12.H4N2O2S/c1-3-9-7-5-4-6-8(9)2;1-5(2,3)4/h4-7H,3H2,1-2H3;(H4,1,2,3,4)
InChIKeyLCOAUVKBPUBKJX-UHFFFAOYSA-N
XLogP0.71
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methylbenzene;sulfamide?
The IUPAC name of 1-ethyl-2-methylbenzene;sulfamide (CID 67800161) is 1-ethyl-2-methylbenzene;sulfamide.
What is the SMILES notation for 1-ethyl-2-methylbenzene;sulfamide?
The canonical SMILES for 1-ethyl-2-methylbenzene;sulfamide is CCc1ccccc1C.NS(N)(=O)=O.
What is the InChIKey of 1-ethyl-2-methylbenzene;sulfamide?
The InChIKey is LCOAUVKBPUBKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.H4N2O2S/c1-3-9-7-5-4-6-8(9)2;1-5(2,3)4/h4-7H,3H2,1-2H3;(H4,1,2,3,4).
What are the key properties of 1-ethyl-2-methylbenzene;sulfamide?
1-ethyl-2-methylbenzene;sulfamide has a molecular weight of 216.31 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methylbenzene;sulfamide is sourced from PubChem (CID 67800161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).