N-[2-(2-hydroxyethyl)phenyl]butane-1-sulfonamide

C12H19NO3S — CID 173327955

IUPACN-[2-(2-hydroxyethyl)phenyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccccc1CCO
InChIInChI=1S/C12H19NO3S/c1-2-3-10-17(15,16)13-12-7-5-4-6-11(12)8-9-14/h4-7,13-14H,2-3,8-10H2,1H3
InChIKeyUGPNBEJTHYWYMT-UHFFFAOYSA-N
MW257.35 g/mol
LogP1.76
Rot. Bonds7

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

N-[2-(2-hydroxyethyl)phenyl]butane-1-sulfonamide (PubChem CID 173327955) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)phenyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)phenyl]butane-1-sulfonamide
PubChem CID173327955
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC NameN-[2-(2-hydroxyethyl)phenyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccccc1CCO
InChIInChI=1S/C12H19NO3S/c1-2-3-10-17(15,16)13-12-7-5-4-6-11(12)8-9-14/h4-7,13-14H,2-3,8-10H2,1H3
InChIKeyUGPNBEJTHYWYMT-UHFFFAOYSA-N
XLogP1.76
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-hydroxyethyl)phenyl]methanesulfonamide
CID 117306913
3-(propylamino)-N-(2-propylphenyl)propane-1-sulfonamide
CID 106003440
N-[2-(methanesulfonamido)phenyl]butane-1-sulfonamide
CID 113093433
N-(2-aminophenyl)butane-1-sulfonamide
CID 16771337
N-(2-hydroxyphenyl)dodecane-1-sulfonamide
CID 3509562
2-(ethylamino)-N-(2-propylphenyl)ethanesulfonamide
CID 54972905
2-(butylsulfonylamino)benzamide
CID 17376030
3-[2-[2-(hexadecylsulfonylamino)phenyl]ethyl]benzoic acid
CID 68691257
N-(2-cyanophenyl)butane-1-sulfonamide
CID 5065530
N-(3-chloro-2-methylphenyl)butane-1-sulfonamide
CID 22774000
N-[2-(methoxymethyl)phenyl]-4-(propylamino)butane-1-sulfonamide
CID 106003226
N-[2-(2-methoxyethyl)phenyl]-4-(methylamino)butane-1-sulfonamide
CID 106087001

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethyl)phenyl]butane-1-sulfonamide?
The IUPAC name of N-[2-(2-hydroxyethyl)phenyl]butane-1-sulfonamide (CID 173327955) is N-[2-(2-hydroxyethyl)phenyl]butane-1-sulfonamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)phenyl]butane-1-sulfonamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)phenyl]butane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccccc1CCO.
What is the InChIKey of N-[2-(2-hydroxyethyl)phenyl]butane-1-sulfonamide?
The InChIKey is UGPNBEJTHYWYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-2-3-10-17(15,16)13-12-7-5-4-6-11(12)8-9-14/h4-7,13-14H,2-3,8-10H2,1H3.
What are the key properties of N-[2-(2-hydroxyethyl)phenyl]butane-1-sulfonamide?
N-[2-(2-hydroxyethyl)phenyl]butane-1-sulfonamide has a molecular weight of 257.35 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)phenyl]butane-1-sulfonamide is sourced from PubChem (CID 173327955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).