4-[4-(2-cyclopropyl-2-hydroxyethyl)phenyl]-N-(2-hydroxyethyl)benzenesulfonamide

C19H23NO4S — CID 154842320

IUPAC4-[4-(2-cyclopropyl-2-hydroxyethyl)phenyl]-N-(2-hydroxyethyl)benzenesulfonamide
SMILESO=S(=O)(NCCO)c1ccc(-c2ccc(CC(O)C3CC3)cc2)cc1
InChIInChI=1S/C19H23NO4S/c21-12-11-20-25(23,24)18-9-7-16(8-10-18)15-3-1-14(2-4-15)13-19(22)17-5-6-17/h1-4,7-10,17,19-22H,5-6,11-13H2
InChIKeyIZDKVXNAQNAFPQ-UHFFFAOYSA-N
MW361.46 g/mol
LogP1.94
Rot. Bonds8

About 4-[4-(2-cyclopropyl-2-hydroxyethyl)phenyl]-N-(2-hydroxyethyl)benzenesulfonamide

4-[4-(2-cyclopropyl-2-hydroxyethyl)phenyl]-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 154842320) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is 4-[4-(2-cyclopropyl-2-hydroxyethyl)phenyl]-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(2-cyclopropyl-2-hydroxyethyl)phenyl]-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID154842320
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC Name4-[4-(2-cyclopropyl-2-hydroxyethyl)phenyl]-N-(2-hydroxyethyl)benzenesulfonamide
SMILESO=S(=O)(NCCO)c1ccc(-c2ccc(CC(O)C3CC3)cc2)cc1
InChIInChI=1S/C19H23NO4S/c21-12-11-20-25(23,24)18-9-7-16(8-10-18)15-3-1-14(2-4-15)13-19(22)17-5-6-17/h1-4,7-10,17,19-22H,5-6,11-13H2
InChIKeyIZDKVXNAQNAFPQ-UHFFFAOYSA-N
XLogP1.94
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-cyclopropyl-2-hydroxyethyl)phenyl]-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 4-[4-(2-cyclopropyl-2-hydroxyethyl)phenyl]-N-(2-hydroxyethyl)benzenesulfonamide (CID 154842320) is 4-[4-(2-cyclopropyl-2-hydroxyethyl)phenyl]-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-[4-(2-cyclopropyl-2-hydroxyethyl)phenyl]-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 4-[4-(2-cyclopropyl-2-hydroxyethyl)phenyl]-N-(2-hydroxyethyl)benzenesulfonamide is O=S(=O)(NCCO)c1ccc(-c2ccc(CC(O)C3CC3)cc2)cc1.
What is the InChIKey of 4-[4-(2-cyclopropyl-2-hydroxyethyl)phenyl]-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is IZDKVXNAQNAFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c21-12-11-20-25(23,24)18-9-7-16(8-10-18)15-3-1-14(2-4-15)13-19(22)17-5-6-17/h1-4,7-10,17,19-22H,5-6,11-13H2.
What are the key properties of 4-[4-(2-cyclopropyl-2-hydroxyethyl)phenyl]-N-(2-hydroxyethyl)benzenesulfonamide?
4-[4-(2-cyclopropyl-2-hydroxyethyl)phenyl]-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 361.46 g/mol, XLogP of 1.94, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-cyclopropyl-2-hydroxyethyl)phenyl]-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 154842320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).