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

C14H17NO4S2 — CID 90524149

IUPACN-(3-hydroxy-3-thiophen-2-ylpropyl)-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)NCCC(O)c2cccs2)c1
InChIInChI=1S/C14H17NO4S2/c1-19-11-4-2-5-12(10-11)21(17,18)15-8-7-13(16)14-6-3-9-20-14/h2-6,9-10,13,15-16H,7-8H2,1H3
InChIKeyCXNVFCVLQARHCJ-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.16
Rot. Bonds7

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

N-(3-hydroxy-3-thiophen-2-ylpropyl)-3-methoxybenzenesulfonamide (PubChem CID 90524149) 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)-3-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-thiophen-2-ylpropyl)-3-methoxybenzenesulfonamide
PubChem CID90524149
Molecular FormulaC14H17NO4S2
Molecular Weight327.43 g/mol
Exact Mass327.06
IUPAC NameN-(3-hydroxy-3-thiophen-2-ylpropyl)-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)NCCC(O)c2cccs2)c1
InChIInChI=1S/C14H17NO4S2/c1-19-11-4-2-5-12(10-11)21(17,18)15-8-7-13(16)14-6-3-9-20-14/h2-6,9-10,13,15-16H,7-8H2,1H3
InChIKeyCXNVFCVLQARHCJ-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
2-hydroxy-4-[(3-methoxyphenyl)sulfonylamino]butanoic acid
CID 107835264
N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methoxybenzenesulfonamide
CID 90524150
N-(3-hydroxy-3-thiophen-2-ylpropyl)-4-propan-2-ylbenzenesulfonamide
CID 90524166
N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide
CID 81258228
N-(3-hydroxy-3-thiophen-2-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 71787868
N-(3-hydroxy-3-thiophen-2-ylpropyl)-2,4,6-trimethylbenzenesulfonamide
CID 90524165
N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-3,4-dimethoxybenzenesulfonamide
CID 95967218
3-methoxy-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide
CID 81259985
N-but-3-ynyl-3-methoxybenzenesulfonamide
CID 90537996
N-(2-hydroxy-2-thiophen-2-ylethyl)-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 110663305
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)-3-methoxybenzenesulfonamide?
The IUPAC name of N-(3-hydroxy-3-thiophen-2-ylpropyl)-3-methoxybenzenesulfonamide (CID 90524149) is N-(3-hydroxy-3-thiophen-2-ylpropyl)-3-methoxybenzenesulfonamide.
What is the SMILES notation for N-(3-hydroxy-3-thiophen-2-ylpropyl)-3-methoxybenzenesulfonamide?
The canonical SMILES for N-(3-hydroxy-3-thiophen-2-ylpropyl)-3-methoxybenzenesulfonamide is COc1cccc(S(=O)(=O)NCCC(O)c2cccs2)c1.
What is the InChIKey of N-(3-hydroxy-3-thiophen-2-ylpropyl)-3-methoxybenzenesulfonamide?
The InChIKey is CXNVFCVLQARHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4S2/c1-19-11-4-2-5-12(10-11)21(17,18)15-8-7-13(16)14-6-3-9-20-14/h2-6,9-10,13,15-16H,7-8H2,1H3.
What are the key properties of N-(3-hydroxy-3-thiophen-2-ylpropyl)-3-methoxybenzenesulfonamide?
N-(3-hydroxy-3-thiophen-2-ylpropyl)-3-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)-3-methoxybenzenesulfonamide is sourced from PubChem (CID 90524149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).