1-(dimethylsulfamoylamino)-4-(propan-2-ylamino)benzene

C11H19N3O2S — CID 112979882

IUPAC1-(dimethylsulfamoylamino)-4-(propan-2-ylamino)benzene
SMILESCC(C)Nc1ccc(NS(=O)(=O)N(C)C)cc1
InChIInChI=1S/C11H19N3O2S/c1-9(2)12-10-5-7-11(8-6-10)13-17(15,16)14(3)4/h5-9,12-13H,1-4H3
InChIKeyGMSHHQCXLMSOFN-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.73
Rot. Bonds5

About 1-(dimethylsulfamoylamino)-4-(propan-2-ylamino)benzene

1-(dimethylsulfamoylamino)-4-(propan-2-ylamino)benzene (PubChem CID 112979882) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-(dimethylsulfamoylamino)-4-(propan-2-ylamino)benzene.

Molecular Properties

Compound Name1-(dimethylsulfamoylamino)-4-(propan-2-ylamino)benzene
PubChem CID112979882
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name1-(dimethylsulfamoylamino)-4-(propan-2-ylamino)benzene
SMILESCC(C)Nc1ccc(NS(=O)(=O)N(C)C)cc1
InChIInChI=1S/C11H19N3O2S/c1-9(2)12-10-5-7-11(8-6-10)13-17(15,16)14(3)4/h5-9,12-13H,1-4H3
InChIKeyGMSHHQCXLMSOFN-UHFFFAOYSA-N
XLogP1.73
TPSA61.44 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 ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 112982256
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CID 653734
1-cyclohexyl-4-(dimethylsulfamoylamino)benzene
CID 110776745
1-[4-(dimethylsulfamoylamino)phenyl]piperidine
CID 110756594
1-(2-bromoethyl)-4-(dimethylsulfamoylamino)benzene
CID 114296418
4-chloro-N-[4-(propan-2-ylamino)phenyl]benzenesulfonamide
CID 112979886
methyl 4-(dimethylsulfamoylamino)benzoate
CID 884458
N-[4-[[4-(propan-2-ylamino)phenyl]sulfamoyl]phenyl]acetamide
CID 112979916
1-(1-amino-2-methylpropan-2-yl)-4-(dimethylsulfamoylamino)benzene
CID 43624625
1-(dimethylsulfamoylamino)-4-(2-methoxyethoxy)benzene
CID 110777028
1-(dimethylsulfamoylamino)-3-iodobenzene
CID 60582672

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylsulfamoylamino)-4-(propan-2-ylamino)benzene?
The IUPAC name of 1-(dimethylsulfamoylamino)-4-(propan-2-ylamino)benzene (CID 112979882) is 1-(dimethylsulfamoylamino)-4-(propan-2-ylamino)benzene.
What is the SMILES notation for 1-(dimethylsulfamoylamino)-4-(propan-2-ylamino)benzene?
The canonical SMILES for 1-(dimethylsulfamoylamino)-4-(propan-2-ylamino)benzene is CC(C)Nc1ccc(NS(=O)(=O)N(C)C)cc1.
What is the InChIKey of 1-(dimethylsulfamoylamino)-4-(propan-2-ylamino)benzene?
The InChIKey is GMSHHQCXLMSOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-9(2)12-10-5-7-11(8-6-10)13-17(15,16)14(3)4/h5-9,12-13H,1-4H3.
What are the key properties of 1-(dimethylsulfamoylamino)-4-(propan-2-ylamino)benzene?
1-(dimethylsulfamoylamino)-4-(propan-2-ylamino)benzene has a molecular weight of 257.36 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylsulfamoylamino)-4-(propan-2-ylamino)benzene is sourced from PubChem (CID 112979882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).