4-(1-hydroxyethyl)-N-(2-methylcyclopropyl)benzenesulfonamide

C12H17NO3S — CID 62409796

IUPAC4-(1-hydroxyethyl)-N-(2-methylcyclopropyl)benzenesulfonamide
SMILESCC(O)c1ccc(S(=O)(=O)NC2CC2C)cc1
InChIInChI=1S/C12H17NO3S/c1-8-7-12(8)13-17(15,16)11-5-3-10(4-6-11)9(2)14/h3-6,8-9,12-14H,7H2,1-2H3
InChIKeyPHQCFZVKHIQMOB-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.43
Rot. Bonds4

About 4-(1-hydroxyethyl)-N-(2-methylcyclopropyl)benzenesulfonamide

4-(1-hydroxyethyl)-N-(2-methylcyclopropyl)benzenesulfonamide (PubChem CID 62409796) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 4-(1-hydroxyethyl)-N-(2-methylcyclopropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(1-hydroxyethyl)-N-(2-methylcyclopropyl)benzenesulfonamide
PubChem CID62409796
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name4-(1-hydroxyethyl)-N-(2-methylcyclopropyl)benzenesulfonamide
SMILESCC(O)c1ccc(S(=O)(=O)NC2CC2C)cc1
InChIInChI=1S/C12H17NO3S/c1-8-7-12(8)13-17(15,16)11-5-3-10(4-6-11)9(2)14/h3-6,8-9,12-14H,7H2,1-2H3
InChIKeyPHQCFZVKHIQMOB-UHFFFAOYSA-N
XLogP1.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-hydroxyethyl)-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 61465004
sodium 4-(1-hydroxyethyl)benzenesulfonate
CID 23692461
N-(2,3-dimethylcyclopentyl)-3-(1-hydroxyethyl)benzenesulfonamide
CID 64922458
4-(1-hydroxyethyl)-N-(1-methylcyclopropyl)benzenesulfonamide
CID 113485862
N-(2,2-dimethyloxan-4-yl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 83035231
4-(1-hydroxyethyl)-N-phenylbenzenesulfonamide
CID 43507245
N-(2-methylcyclopropyl)-4-(propylaminomethyl)benzenesulfonamide
CID 55071483
1-[4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]ethanol
CID 114594596
3-[1-(ethylamino)ethyl]-N-(2-methylcyclopropyl)benzenesulfonamide
CID 62408236
4-(1-aminoethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82728733
4-(1-hydroxyethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43546344
ethane;(1S)-1-(4-methylsulfonylphenyl)ethanol
CID 143418064

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxyethyl)-N-(2-methylcyclopropyl)benzenesulfonamide?
The IUPAC name of 4-(1-hydroxyethyl)-N-(2-methylcyclopropyl)benzenesulfonamide (CID 62409796) is 4-(1-hydroxyethyl)-N-(2-methylcyclopropyl)benzenesulfonamide.
What is the SMILES notation for 4-(1-hydroxyethyl)-N-(2-methylcyclopropyl)benzenesulfonamide?
The canonical SMILES for 4-(1-hydroxyethyl)-N-(2-methylcyclopropyl)benzenesulfonamide is CC(O)c1ccc(S(=O)(=O)NC2CC2C)cc1.
What is the InChIKey of 4-(1-hydroxyethyl)-N-(2-methylcyclopropyl)benzenesulfonamide?
The InChIKey is PHQCFZVKHIQMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-8-7-12(8)13-17(15,16)11-5-3-10(4-6-11)9(2)14/h3-6,8-9,12-14H,7H2,1-2H3.
What are the key properties of 4-(1-hydroxyethyl)-N-(2-methylcyclopropyl)benzenesulfonamide?
4-(1-hydroxyethyl)-N-(2-methylcyclopropyl)benzenesulfonamide has a molecular weight of 255.34 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxyethyl)-N-(2-methylcyclopropyl)benzenesulfonamide is sourced from PubChem (CID 62409796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).