N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methoxybenzenesulfonamide

C14H17NO4S2 — CID 90524150

IUPACN-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCCC(O)c1cccs1
InChIInChI=1S/C14H17NO4S2/c1-19-12-5-2-3-7-14(12)21(17,18)15-9-8-11(16)13-6-4-10-20-13/h2-7,10-11,15-16H,8-9H2,1H3
InChIKeySRJIFNKWNARHNG-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.16
Rot. Bonds7

About N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methoxybenzenesulfonamide

N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methoxybenzenesulfonamide (PubChem CID 90524150) has the molecular formula C14H17NO4S2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methoxybenzenesulfonamide
PubChem CID90524150
Molecular FormulaC14H17NO4S2
Molecular Weight327.43 g/mol
Exact Mass327.06
IUPAC NameN-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCCC(O)c1cccs1
InChIInChI=1S/C14H17NO4S2/c1-19-12-5-2-3-7-14(12)21(17,18)15-9-8-11(16)13-6-4-10-20-13/h2-7,10-11,15-16H,8-9H2,1H3
InChIKeySRJIFNKWNARHNG-UHFFFAOYSA-N
XLogP2.16
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-hydroxy-3-thiophen-2-ylpropyl)-4-methoxybenzenesulfonamide
CID 90524151
N-(3-hydroxy-3-thiophen-2-ylpropyl)-3-methoxybenzenesulfonamide
CID 90524149
N-(3-hydroxy-3-thiophen-2-ylpropyl)-2,4,6-trimethylbenzenesulfonamide
CID 90524165
N-(3-hydroxy-3-thiophen-2-ylpropyl)-4-propan-2-ylbenzenesulfonamide
CID 90524166
methyl 3-[(2-methoxyphenyl)sulfonylamino]propanoate
CID 60639551
2-methoxy-N-propylbenzenesulfonamide
CID 23128752
N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-3,4-dimethoxybenzenesulfonamide
CID 95967218
N-(3-hydroxy-3-thiophen-2-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 71787868
N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide
CID 106843929
N-(3-hydroxy-3-phenylpropyl)thiophene-2-sulfonamide
CID 90499598
2-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 47104188
3-fluoro-N-(2-hydroxy-2-thiophen-2-ylethyl)-4-methoxybenzenesulfonamide
CID 90500313

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methoxybenzenesulfonamide?
The IUPAC name of N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methoxybenzenesulfonamide (CID 90524150) is N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methoxybenzenesulfonamide is COc1ccccc1S(=O)(=O)NCCC(O)c1cccs1.
What is the InChIKey of N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methoxybenzenesulfonamide?
The InChIKey is SRJIFNKWNARHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4S2/c1-19-12-5-2-3-7-14(12)21(17,18)15-9-8-11(16)13-6-4-10-20-13/h2-7,10-11,15-16H,8-9H2,1H3.
What are the key properties of N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methoxybenzenesulfonamide?
N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methoxybenzenesulfonamide has a molecular weight of 327.43 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 90524150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).