2-(2,2-dimethylpropylamino)benzenesulfonamide

C11H18N2O2S — CID 61166662

IUPAC2-(2,2-dimethylpropylamino)benzenesulfonamide
SMILESCC(C)(C)CNc1ccccc1S(N)(=O)=O
InChIInChI=1S/C11H18N2O2S/c1-11(2,3)8-13-9-6-4-5-7-10(9)16(12,14)15/h4-7,13H,8H2,1-3H3,(H2,12,14,15)
InChIKeyDKIUKKRAKYPLJI-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.79
Rot. Bonds3

About 2-(2,2-dimethylpropylamino)benzenesulfonamide

2-(2,2-dimethylpropylamino)benzenesulfonamide (PubChem CID 61166662) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-(2,2-dimethylpropylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-(2,2-dimethylpropylamino)benzenesulfonamide
PubChem CID61166662
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name2-(2,2-dimethylpropylamino)benzenesulfonamide
SMILESCC(C)(C)CNc1ccccc1S(N)(=O)=O
InChIInChI=1S/C11H18N2O2S/c1-11(2,3)8-13-9-6-4-5-7-10(9)16(12,14)15/h4-7,13H,8H2,1-3H3,(H2,12,14,15)
InChIKeyDKIUKKRAKYPLJI-UHFFFAOYSA-N
XLogP1.79
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-hydroxy-2,2-dimethylpropyl)amino]benzenesulfonamide
CID 115360899
2-[(3-amino-2,2-difluoropropyl)amino]benzenesulfonamide
CID 114384513
2-(2,2,3,3-tetrafluoropropylamino)benzenesulfonamide
CID 106293975
1-N,2-N-bis(2,2-dimethylpropyl)benzene-1,2-diamine
CID 5250269
2-[(2-amino-4,4-dimethylpentyl)amino]benzenesulfonamide
CID 107159038
N-[2-(2,2-dimethylpropylamino)phenyl]methanesulfonamide
CID 61324135
2-(3-methylbutylamino)benzenesulfonamide
CID 43454227
2-(2,2-difluoroethylamino)benzenesulfonamide
CID 115407559
2-(2-methylbutylamino)benzenesulfonamide
CID 62692672
2-(4,4,4-trifluorobutylamino)benzenesulfonamide
CID 113327785
3-[[2-(hydroxymethyl)-2-methylbutyl]amino]-2-methylbenzenesulfonamide
CID 81419909
2-[(1-hydroxy-2-phenylpropan-2-yl)amino]benzenesulfonamide
CID 105058453

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropylamino)benzenesulfonamide?
The IUPAC name of 2-(2,2-dimethylpropylamino)benzenesulfonamide (CID 61166662) is 2-(2,2-dimethylpropylamino)benzenesulfonamide.
What is the SMILES notation for 2-(2,2-dimethylpropylamino)benzenesulfonamide?
The canonical SMILES for 2-(2,2-dimethylpropylamino)benzenesulfonamide is CC(C)(C)CNc1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-(2,2-dimethylpropylamino)benzenesulfonamide?
The InChIKey is DKIUKKRAKYPLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-11(2,3)8-13-9-6-4-5-7-10(9)16(12,14)15/h4-7,13H,8H2,1-3H3,(H2,12,14,15).
What are the key properties of 2-(2,2-dimethylpropylamino)benzenesulfonamide?
2-(2,2-dimethylpropylamino)benzenesulfonamide has a molecular weight of 242.34 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropylamino)benzenesulfonamide is sourced from PubChem (CID 61166662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).