1-(diethylaminomethyl)-2-(sulfamoylamino)benzene

C11H19N3O2S — CID 112573513

IUPAC1-(diethylaminomethyl)-2-(sulfamoylamino)benzene
SMILESCCN(CC)Cc1ccccc1NS(N)(=O)=O
InChIInChI=1S/C11H19N3O2S/c1-3-14(4-2)9-10-7-5-6-8-11(10)13-17(12,15)16/h5-8,13H,3-4,9H2,1-2H3,(H2,12,15,16)
InChIKeyPAAUBVBDMMRPTR-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.14
Rot. Bonds6

About 1-(diethylaminomethyl)-2-(sulfamoylamino)benzene

1-(diethylaminomethyl)-2-(sulfamoylamino)benzene (PubChem CID 112573513) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-(diethylaminomethyl)-2-(sulfamoylamino)benzene.

Molecular Properties

Compound Name1-(diethylaminomethyl)-2-(sulfamoylamino)benzene
PubChem CID112573513
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name1-(diethylaminomethyl)-2-(sulfamoylamino)benzene
SMILESCCN(CC)Cc1ccccc1NS(N)(=O)=O
InChIInChI=1S/C11H19N3O2S/c1-3-14(4-2)9-10-7-5-6-8-11(10)13-17(12,15)16/h5-8,13H,3-4,9H2,1-2H3,(H2,12,15,16)
InChIKeyPAAUBVBDMMRPTR-UHFFFAOYSA-N
XLogP1.14
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(diethylaminomethyl)phenyl]sulfamoyl]propanoic acid
CID 43715678
2-(diethylaminomethyl)-N-methylaniline
CID 23009383
2-(diethylaminomethyl)-N-(1-methylsulfonylpropan-2-yl)aniline
CID 64629331
N-[[2-(2,2-diethylhydrazinyl)phenyl]methyl]-N-ethylethanamine
CID 101120062
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-[2-(methanesulfonamido)phenyl]acetamide
CID 86934936
N-methyl-2-[2-(sulfamoylamino)phenyl]acetamide
CID 112573434
ethyl N-[2-(diethylaminomethyl)phenyl]carbamate
CID 61215408
2-(diethylaminomethyl)-N-(2-methylpropyl)aniline
CID 43729309
2-amino-N-[2-(diethylaminomethyl)phenyl]-3-methylpentanamide
CID 43712488
3-[2-(diethylaminomethyl)anilino]-2-methyl-3-oxopropanoic acid
CID 114898009
N-[2-(diethylaminomethyl)phenyl]-2-methoxypropanamide
CID 112685894
N-[2-(diethylaminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride
CID 67513883

Frequently Asked Questions

What is the IUPAC name of 1-(diethylaminomethyl)-2-(sulfamoylamino)benzene?
The IUPAC name of 1-(diethylaminomethyl)-2-(sulfamoylamino)benzene (CID 112573513) is 1-(diethylaminomethyl)-2-(sulfamoylamino)benzene.
What is the SMILES notation for 1-(diethylaminomethyl)-2-(sulfamoylamino)benzene?
The canonical SMILES for 1-(diethylaminomethyl)-2-(sulfamoylamino)benzene is CCN(CC)Cc1ccccc1NS(N)(=O)=O.
What is the InChIKey of 1-(diethylaminomethyl)-2-(sulfamoylamino)benzene?
The InChIKey is PAAUBVBDMMRPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-3-14(4-2)9-10-7-5-6-8-11(10)13-17(12,15)16/h5-8,13H,3-4,9H2,1-2H3,(H2,12,15,16).
What are the key properties of 1-(diethylaminomethyl)-2-(sulfamoylamino)benzene?
1-(diethylaminomethyl)-2-(sulfamoylamino)benzene has a molecular weight of 257.36 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylaminomethyl)-2-(sulfamoylamino)benzene is sourced from PubChem (CID 112573513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).