4-[(4-hydroxy-2-methylbutyl)amino]-N,N-dimethylbenzenesulfonamide

C13H22N2O3S — CID 66107751

IUPAC4-[(4-hydroxy-2-methylbutyl)amino]-N,N-dimethylbenzenesulfonamide
SMILESCC(CCO)CNc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C13H22N2O3S/c1-11(8-9-16)10-14-12-4-6-13(7-5-12)19(17,18)15(2)3/h4-7,11,14,16H,8-10H2,1-3H3
InChIKeyKLGHSUIRMWOFQH-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.37
Rot. Bonds7

About 4-[(4-hydroxy-2-methylbutyl)amino]-N,N-dimethylbenzenesulfonamide

4-[(4-hydroxy-2-methylbutyl)amino]-N,N-dimethylbenzenesulfonamide (PubChem CID 66107751) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 4-[(4-hydroxy-2-methylbutyl)amino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(4-hydroxy-2-methylbutyl)amino]-N,N-dimethylbenzenesulfonamide
PubChem CID66107751
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name4-[(4-hydroxy-2-methylbutyl)amino]-N,N-dimethylbenzenesulfonamide
SMILESCC(CCO)CNc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C13H22N2O3S/c1-11(8-9-16)10-14-12-4-6-13(7-5-12)19(17,18)15(2)3/h4-7,11,14,16H,8-10H2,1-3H3
InChIKeyKLGHSUIRMWOFQH-UHFFFAOYSA-N
XLogP1.37
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-hydroxyethylamino)-N,N-dimethylbenzenesulfonamide
CID 43453910
N,N-dimethyl-4-(4-methylpentylamino)benzenesulfonamide
CID 54913685
N,N-dimethyl-4-[3-[methyl(propan-2-yl)amino]propylamino]benzenesulfonamide
CID 106048559
1-[4-(dimethylsulfamoyl)phenyl]-3-(4-hydroxybutan-2-yl)urea
CID 146089010
4-(ethylamino)-N,N-dimethylbenzenesulfonamide
CID 43415076
4-[2-(2-hydroxyethoxy)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 62498471
4-methyl-5-(4-methylsulfonylanilino)pentanoic acid
CID 82682615
2-[4-(dimethylsulfamoyl)anilino]-N,N-dimethylacetamide
CID 43387793
4-[4-(dimethylsulfamoyl)anilino]butanamide
CID 60863966
5-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid
CID 103340904
4-[3-(ethylamino)propylamino]-N,N-dimethylbenzenesulfonamide
CID 54906965
4-(5-chloropentylamino)-N,N-dimethylbenzenesulfonamide
CID 107320547

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxy-2-methylbutyl)amino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[(4-hydroxy-2-methylbutyl)amino]-N,N-dimethylbenzenesulfonamide (CID 66107751) is 4-[(4-hydroxy-2-methylbutyl)amino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[(4-hydroxy-2-methylbutyl)amino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[(4-hydroxy-2-methylbutyl)amino]-N,N-dimethylbenzenesulfonamide is CC(CCO)CNc1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 4-[(4-hydroxy-2-methylbutyl)amino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is KLGHSUIRMWOFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-11(8-9-16)10-14-12-4-6-13(7-5-12)19(17,18)15(2)3/h4-7,11,14,16H,8-10H2,1-3H3.
What are the key properties of 4-[(4-hydroxy-2-methylbutyl)amino]-N,N-dimethylbenzenesulfonamide?
4-[(4-hydroxy-2-methylbutyl)amino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-2-methylbutyl)amino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 66107751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).