N-[4-(2-hydroxyethyl)phenyl]azepane-1-sulfonamide

C14H22N2O3S — CID 61223235

IUPACN-[4-(2-hydroxyethyl)phenyl]azepane-1-sulfonamide
SMILESO=S(=O)(Nc1ccc(CCO)cc1)N1CCCCCC1
InChIInChI=1S/C14H22N2O3S/c17-12-9-13-5-7-14(8-6-13)15-20(18,19)16-10-3-1-2-4-11-16/h5-8,15,17H,1-4,9-12H2
InChIKeySWJNRXKBVXVXBF-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.75
Rot. Bonds5

About N-[4-(2-hydroxyethyl)phenyl]azepane-1-sulfonamide

N-[4-(2-hydroxyethyl)phenyl]azepane-1-sulfonamide (PubChem CID 61223235) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[4-(2-hydroxyethyl)phenyl]azepane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyethyl)phenyl]azepane-1-sulfonamide
PubChem CID61223235
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-[4-(2-hydroxyethyl)phenyl]azepane-1-sulfonamide
SMILESO=S(=O)(Nc1ccc(CCO)cc1)N1CCCCCC1
InChIInChI=1S/C14H22N2O3S/c17-12-9-13-5-7-14(8-6-13)15-20(18,19)16-10-3-1-2-4-11-16/h5-8,15,17H,1-4,9-12H2
InChIKeySWJNRXKBVXVXBF-UHFFFAOYSA-N
XLogP1.75
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(4-cyanophenyl)piperidine-1-sulfonamide
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N-(4-ethoxyphenyl)azepane-1-sulfonamide
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N-[4-(2-hydroxyethyl)phenyl]azepane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyethyl)phenyl]azepane-1-sulfonamide?
The IUPAC name of N-[4-(2-hydroxyethyl)phenyl]azepane-1-sulfonamide (CID 61223235) is N-[4-(2-hydroxyethyl)phenyl]azepane-1-sulfonamide.
What is the SMILES notation for N-[4-(2-hydroxyethyl)phenyl]azepane-1-sulfonamide?
The canonical SMILES for N-[4-(2-hydroxyethyl)phenyl]azepane-1-sulfonamide is O=S(=O)(Nc1ccc(CCO)cc1)N1CCCCCC1.
What is the InChIKey of N-[4-(2-hydroxyethyl)phenyl]azepane-1-sulfonamide?
The InChIKey is SWJNRXKBVXVXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c17-12-9-13-5-7-14(8-6-13)15-20(18,19)16-10-3-1-2-4-11-16/h5-8,15,17H,1-4,9-12H2.
What are the key properties of N-[4-(2-hydroxyethyl)phenyl]azepane-1-sulfonamide?
N-[4-(2-hydroxyethyl)phenyl]azepane-1-sulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxyethyl)phenyl]azepane-1-sulfonamide is sourced from PubChem (CID 61223235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).