N-(3-hydroxy-3-thiophen-2-ylpropyl)-4-methoxybenzenesulfonamide

C14H17NO4S2 — CID 90524151

IUPACN-(3-hydroxy-3-thiophen-2-ylpropyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCC(O)c2cccs2)cc1
InChIInChI=1S/C14H17NO4S2/c1-19-11-4-6-12(7-5-11)21(17,18)15-9-8-13(16)14-3-2-10-20-14/h2-7,10,13,15-16H,8-9H2,1H3
InChIKeyDWWAVWGHPUXRGG-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.16
Rot. Bonds7

About N-(3-hydroxy-3-thiophen-2-ylpropyl)-4-methoxybenzenesulfonamide

N-(3-hydroxy-3-thiophen-2-ylpropyl)-4-methoxybenzenesulfonamide (PubChem CID 90524151) 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)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-thiophen-2-ylpropyl)-4-methoxybenzenesulfonamide
PubChem CID90524151
Molecular FormulaC14H17NO4S2
Molecular Weight327.43 g/mol
Exact Mass327.06
IUPAC NameN-(3-hydroxy-3-thiophen-2-ylpropyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCC(O)c2cccs2)cc1
InChIInChI=1S/C14H17NO4S2/c1-19-11-4-6-12(7-5-11)21(17,18)15-9-8-13(16)14-3-2-10-20-14/h2-7,10,13,15-16H,8-9H2,1H3
InChIKeyDWWAVWGHPUXRGG-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)-3-methoxybenzenesulfonamide
CID 90524149
N-(3-hydroxy-3-thiophen-2-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 71787868
N-(3-hydroxy-3-thiophen-2-ylpropyl)-4-propan-2-ylbenzenesulfonamide
CID 90524166
N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methoxybenzenesulfonamide
CID 90524150
N-(2-hydroxy-2-thiophen-2-ylethyl)-4-propan-2-yloxybenzenesulfonamide
CID 110663309
N-(3-hydroxy-3-thiophen-2-ylpropyl)-2,4,6-trimethylbenzenesulfonamide
CID 90524165
1-(3-hydroxy-3-thiophen-2-ylpropyl)-3-[(4-methoxyphenyl)methyl]urea
CID 90524306
4-methoxy-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 18574221
4-methoxy-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 41193508
N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
CID 2055080
N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-3,4-dimethoxybenzenesulfonamide
CID 95967218
methyl 3-[(4-methoxyphenyl)sulfonylamino]-3-thiophen-2-ylpropanoate
CID 46514642

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-thiophen-2-ylpropyl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(3-hydroxy-3-thiophen-2-ylpropyl)-4-methoxybenzenesulfonamide (CID 90524151) is N-(3-hydroxy-3-thiophen-2-ylpropyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(3-hydroxy-3-thiophen-2-ylpropyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(3-hydroxy-3-thiophen-2-ylpropyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCCC(O)c2cccs2)cc1.
What is the InChIKey of N-(3-hydroxy-3-thiophen-2-ylpropyl)-4-methoxybenzenesulfonamide?
The InChIKey is DWWAVWGHPUXRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4S2/c1-19-11-4-6-12(7-5-11)21(17,18)15-9-8-13(16)14-3-2-10-20-14/h2-7,10,13,15-16H,8-9H2,1H3.
What are the key properties of N-(3-hydroxy-3-thiophen-2-ylpropyl)-4-methoxybenzenesulfonamide?
N-(3-hydroxy-3-thiophen-2-ylpropyl)-4-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)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 90524151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).