1-amino-2-(diethylsulfamoylamino)-4-methylbenzene

C11H19N3O2S — CID 112557490

IUPAC1-amino-2-(diethylsulfamoylamino)-4-methylbenzene
SMILESCCN(CC)S(=O)(=O)Nc1cc(C)ccc1N
InChIInChI=1S/C11H19N3O2S/c1-4-14(5-2)17(15,16)13-11-8-9(3)6-7-10(11)12/h6-8,13H,4-5,12H2,1-3H3
InChIKeySHPDOPKALRGGCE-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.58
Rot. Bonds5

About 1-amino-2-(diethylsulfamoylamino)-4-methylbenzene

1-amino-2-(diethylsulfamoylamino)-4-methylbenzene (PubChem CID 112557490) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-amino-2-(diethylsulfamoylamino)-4-methylbenzene.

Molecular Properties

Compound Name1-amino-2-(diethylsulfamoylamino)-4-methylbenzene
PubChem CID112557490
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name1-amino-2-(diethylsulfamoylamino)-4-methylbenzene
SMILESCCN(CC)S(=O)(=O)Nc1cc(C)ccc1N
InChIInChI=1S/C11H19N3O2S/c1-4-14(5-2)17(15,16)13-11-8-9(3)6-7-10(11)12/h6-8,13H,4-5,12H2,1-3H3
InChIKeySHPDOPKALRGGCE-UHFFFAOYSA-N
XLogP1.58
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-amino-2-(diethylsulfamoylamino)benzene
CID 28783371
1-amino-4-(diethylsulfamoylamino)-2,5-dimethylbenzene
CID 103144698
4-methyl-2-N-(methylsulfamoyl)benzene-1,2-diamine
CID 114804948
1-amino-2-(diethylsulfamoylamino)-3-methylbenzene
CID 43152352
2-(dimethylsulfamoylamino)-1,4-dimethylbenzene
CID 3889138
4-methyl-2-N-propylbenzene-1,2-diamine
CID 58056820
N-(2,5-dimethylphenyl)ethanesulfonamide
CID 902936
N-(2-amino-5-methylphenyl)-2-chlorobenzenesulfonamide
CID 112557510
2-(diethylsulfamoylamino)benzenecarbothioamide
CID 28785092
2-[2-(diethylsulfamoylamino)phenyl]acetic acid
CID 62535925
2-N-(2-aminoethyl)-4-methylbenzene-1,2-diamine
CID 23104425
1-(diethylsulfamoylamino)-4-(methylamino)benzene
CID 43604119

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(diethylsulfamoylamino)-4-methylbenzene?
The IUPAC name of 1-amino-2-(diethylsulfamoylamino)-4-methylbenzene (CID 112557490) is 1-amino-2-(diethylsulfamoylamino)-4-methylbenzene.
What is the SMILES notation for 1-amino-2-(diethylsulfamoylamino)-4-methylbenzene?
The canonical SMILES for 1-amino-2-(diethylsulfamoylamino)-4-methylbenzene is CCN(CC)S(=O)(=O)Nc1cc(C)ccc1N.
What is the InChIKey of 1-amino-2-(diethylsulfamoylamino)-4-methylbenzene?
The InChIKey is SHPDOPKALRGGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-4-14(5-2)17(15,16)13-11-8-9(3)6-7-10(11)12/h6-8,13H,4-5,12H2,1-3H3.
What are the key properties of 1-amino-2-(diethylsulfamoylamino)-4-methylbenzene?
1-amino-2-(diethylsulfamoylamino)-4-methylbenzene has a molecular weight of 257.36 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(diethylsulfamoylamino)-4-methylbenzene is sourced from PubChem (CID 112557490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).