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

C12H17NO3S — CID 113485862

IUPAC4-(1-hydroxyethyl)-N-(1-methylcyclopropyl)benzenesulfonamide
SMILESCC(O)c1ccc(S(=O)(=O)NC2(C)CC2)cc1
InChIInChI=1S/C12H17NO3S/c1-9(14)10-3-5-11(6-4-10)17(15,16)13-12(2)7-8-12/h3-6,9,13-14H,7-8H2,1-2H3
InChIKeyCPGREOKSKPOGSS-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.57
Rot. Bonds4

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

4-(1-hydroxyethyl)-N-(1-methylcyclopropyl)benzenesulfonamide (PubChem CID 113485862) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 4-(1-hydroxyethyl)-N-(1-methylcyclopropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(1-hydroxyethyl)-N-(1-methylcyclopropyl)benzenesulfonamide
PubChem CID113485862
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name4-(1-hydroxyethyl)-N-(1-methylcyclopropyl)benzenesulfonamide
SMILESCC(O)c1ccc(S(=O)(=O)NC2(C)CC2)cc1
InChIInChI=1S/C12H17NO3S/c1-9(14)10-3-5-11(6-4-10)17(15,16)13-12(2)7-8-12/h3-6,9,13-14H,7-8H2,1-2H3
InChIKeyCPGREOKSKPOGSS-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxyethyl)-N-(1-methylcyclopropyl)benzenesulfonamide?
The IUPAC name of 4-(1-hydroxyethyl)-N-(1-methylcyclopropyl)benzenesulfonamide (CID 113485862) is 4-(1-hydroxyethyl)-N-(1-methylcyclopropyl)benzenesulfonamide.
What is the SMILES notation for 4-(1-hydroxyethyl)-N-(1-methylcyclopropyl)benzenesulfonamide?
The canonical SMILES for 4-(1-hydroxyethyl)-N-(1-methylcyclopropyl)benzenesulfonamide is CC(O)c1ccc(S(=O)(=O)NC2(C)CC2)cc1.
What is the InChIKey of 4-(1-hydroxyethyl)-N-(1-methylcyclopropyl)benzenesulfonamide?
The InChIKey is CPGREOKSKPOGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-9(14)10-3-5-11(6-4-10)17(15,16)13-12(2)7-8-12/h3-6,9,13-14H,7-8H2,1-2H3.
What are the key properties of 4-(1-hydroxyethyl)-N-(1-methylcyclopropyl)benzenesulfonamide?
4-(1-hydroxyethyl)-N-(1-methylcyclopropyl)benzenesulfonamide has a molecular weight of 255.34 g/mol, XLogP of 1.57, 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-(1-methylcyclopropyl)benzenesulfonamide is sourced from PubChem (CID 113485862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).