N-cyclopropyl-4-hydroxy-2,6-dimethylbenzenesulfonamide

C11H15NO3S — CID 91800483

IUPACN-cyclopropyl-4-hydroxy-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(O)cc(C)c1S(=O)(=O)NC1CC1
InChIInChI=1S/C11H15NO3S/c1-7-5-10(13)6-8(2)11(7)16(14,15)12-9-3-4-9/h5-6,9,12-13H,3-4H2,1-2H3
InChIKeyUTCFAFGWMOVHSH-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.45
Rot. Bonds3

About N-cyclopropyl-4-hydroxy-2,6-dimethylbenzenesulfonamide

N-cyclopropyl-4-hydroxy-2,6-dimethylbenzenesulfonamide (PubChem CID 91800483) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is N-cyclopropyl-4-hydroxy-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-hydroxy-2,6-dimethylbenzenesulfonamide
PubChem CID91800483
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC NameN-cyclopropyl-4-hydroxy-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(O)cc(C)c1S(=O)(=O)NC1CC1
InChIInChI=1S/C11H15NO3S/c1-7-5-10(13)6-8(2)11(7)16(14,15)12-9-3-4-9/h5-6,9,12-13H,3-4H2,1-2H3
InChIKeyUTCFAFGWMOVHSH-UHFFFAOYSA-N
XLogP1.45
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,6-trimethyl-N-[4-[[4-[(2,4,6-trimethylphenyl)sulfonylamino]cyclohexyl]methyl]cyclohexyl]benzenesulfonamide
CID 46192720
4-tert-butyl-N-cycloheptyl-2,6-dimethylbenzenesulfonamide
CID 7938165
N-cycloheptyl-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326676
N-cyclopropyl-2,6-dimethyl-4-(propylamino)benzenesulfonamide
CID 107328516
N-cyclobutyl-4-hydrazinyl-2,6-dimethylbenzenesulfonamide
CID 107327980
N-cyclopropyl-2-methoxy-4,6-dimethylbenzenesulfonamide
CID 110759510
4-fluoro-2,6-dimethyl-N-piperidin-4-ylbenzenesulfonamide
CID 107326148
2,4,6-trimethyl-N-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]benzenesulfonamide
CID 10552105
3-amino-N-cyclopropyl-2,5,6-trimethylbenzenesulfonamide
CID 106503553
4-amino-N-(3-hydroxycyclobutyl)-2,6-dimethylbenzenesulfonamide
CID 79588779
4-methoxy-2,6-dimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 167945506
4-hydrazinyl-2,6-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 107327849

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-hydroxy-2,6-dimethylbenzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-hydroxy-2,6-dimethylbenzenesulfonamide (CID 91800483) is N-cyclopropyl-4-hydroxy-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-hydroxy-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-hydroxy-2,6-dimethylbenzenesulfonamide is Cc1cc(O)cc(C)c1S(=O)(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-hydroxy-2,6-dimethylbenzenesulfonamide?
The InChIKey is UTCFAFGWMOVHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-7-5-10(13)6-8(2)11(7)16(14,15)12-9-3-4-9/h5-6,9,12-13H,3-4H2,1-2H3.
What are the key properties of N-cyclopropyl-4-hydroxy-2,6-dimethylbenzenesulfonamide?
N-cyclopropyl-4-hydroxy-2,6-dimethylbenzenesulfonamide has a molecular weight of 241.31 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-hydroxy-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 91800483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).