1-butyl-4-(dimethylsulfamoylamino)benzene

C12H20N2O2S — CID 2162823

IUPAC1-butyl-4-(dimethylsulfamoylamino)benzene
SMILESCCCCc1ccc(NS(=O)(=O)N(C)C)cc1
InChIInChI=1S/C12H20N2O2S/c1-4-5-6-11-7-9-12(10-8-11)13-17(15,16)14(2)3/h7-10,13H,4-6H2,1-3H3
InChIKeyJVCIEJKSJVNNIS-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.25
Rot. Bonds6

About 1-butyl-4-(dimethylsulfamoylamino)benzene

1-butyl-4-(dimethylsulfamoylamino)benzene (PubChem CID 2162823) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 1-butyl-4-(dimethylsulfamoylamino)benzene.

Molecular Properties

Compound Name1-butyl-4-(dimethylsulfamoylamino)benzene
PubChem CID2162823
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name1-butyl-4-(dimethylsulfamoylamino)benzene
SMILESCCCCc1ccc(NS(=O)(=O)N(C)C)cc1
InChIInChI=1S/C12H20N2O2S/c1-4-5-6-11-7-9-12(10-8-11)13-17(15,16)14(2)3/h7-10,13H,4-6H2,1-3H3
InChIKeyJVCIEJKSJVNNIS-UHFFFAOYSA-N
XLogP2.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(dimethylsulfamoylamino)benzene?
The IUPAC name of 1-butyl-4-(dimethylsulfamoylamino)benzene (CID 2162823) is 1-butyl-4-(dimethylsulfamoylamino)benzene.
What is the SMILES notation for 1-butyl-4-(dimethylsulfamoylamino)benzene?
The canonical SMILES for 1-butyl-4-(dimethylsulfamoylamino)benzene is CCCCc1ccc(NS(=O)(=O)N(C)C)cc1.
What is the InChIKey of 1-butyl-4-(dimethylsulfamoylamino)benzene?
The InChIKey is JVCIEJKSJVNNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-4-5-6-11-7-9-12(10-8-11)13-17(15,16)14(2)3/h7-10,13H,4-6H2,1-3H3.
What are the key properties of 1-butyl-4-(dimethylsulfamoylamino)benzene?
1-butyl-4-(dimethylsulfamoylamino)benzene has a molecular weight of 256.37 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(dimethylsulfamoylamino)benzene is sourced from PubChem (CID 2162823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).