3-chloro-N-(5-hydroxy-3-thiophen-3-ylpentyl)-4-methoxybenzenesulfonamide

C16H20ClNO4S2 — CID 122160833

IUPAC3-chloro-N-(5-hydroxy-3-thiophen-3-ylpentyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCC(CCO)c2ccsc2)cc1Cl
InChIInChI=1S/C16H20ClNO4S2/c1-22-16-3-2-14(10-15(16)17)24(20,21)18-7-4-12(5-8-19)13-6-9-23-11-13/h2-3,6,9-12,18-19H,4-5,7-8H2,1H3
InChIKeyUSNXTSLJELOWQX-UHFFFAOYSA-N
MW389.93 g/mol
LogP3.24
Rot. Bonds9

About 3-chloro-N-(5-hydroxy-3-thiophen-3-ylpentyl)-4-methoxybenzenesulfonamide

3-chloro-N-(5-hydroxy-3-thiophen-3-ylpentyl)-4-methoxybenzenesulfonamide (PubChem CID 122160833) has the molecular formula C16H20ClNO4S2 and a molecular weight of 389.93 g/mol. Its IUPAC name is 3-chloro-N-(5-hydroxy-3-thiophen-3-ylpentyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(5-hydroxy-3-thiophen-3-ylpentyl)-4-methoxybenzenesulfonamide
PubChem CID122160833
Molecular FormulaC16H20ClNO4S2
Molecular Weight389.93 g/mol
Exact Mass389.05
IUPAC Name3-chloro-N-(5-hydroxy-3-thiophen-3-ylpentyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCC(CCO)c2ccsc2)cc1Cl
InChIInChI=1S/C16H20ClNO4S2/c1-22-16-3-2-14(10-15(16)17)24(20,21)18-7-4-12(5-8-19)13-6-9-23-11-13/h2-3,6,9-12,18-19H,4-5,7-8H2,1H3
InChIKeyUSNXTSLJELOWQX-UHFFFAOYSA-N
XLogP3.24
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.93
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)-4-methoxybenzenesulfonamide
CID 86264143
3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methoxybenzenesulfonamide
CID 90496616
N-(5-hydroxy-3-thiophen-3-ylpentyl)-4-(2-methylpropoxy)benzenesulfonamide
CID 122160835
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-3-chloro-4-methoxybenzenesulfonamide
CID 16933285
3-chloro-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxybenzenesulfonamide
CID 62498134
3-chloro-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 37477959
4-(2,5-dioxopyrrolidin-1-yl)-N-(5-hydroxy-3-thiophen-3-ylpentyl)benzenesulfonamide
CID 126854037
3-chloro-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-4-methoxybenzenesulfonamide
CID 126852183
3-chloro-N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-4-methoxybenzenesulfonamide
CID 99996993
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
CID 49244513
3-chloro-4-methoxy-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
CID 110398411
3-chloro-N-[3-[4-(dimethylamino)phenyl]propyl]-4-methoxybenzenesulfonamide
CID 16890872

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-hydroxy-3-thiophen-3-ylpentyl)-4-methoxybenzenesulfonamide?
The IUPAC name of 3-chloro-N-(5-hydroxy-3-thiophen-3-ylpentyl)-4-methoxybenzenesulfonamide (CID 122160833) is 3-chloro-N-(5-hydroxy-3-thiophen-3-ylpentyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(5-hydroxy-3-thiophen-3-ylpentyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(5-hydroxy-3-thiophen-3-ylpentyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCCC(CCO)c2ccsc2)cc1Cl.
What is the InChIKey of 3-chloro-N-(5-hydroxy-3-thiophen-3-ylpentyl)-4-methoxybenzenesulfonamide?
The InChIKey is USNXTSLJELOWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO4S2/c1-22-16-3-2-14(10-15(16)17)24(20,21)18-7-4-12(5-8-19)13-6-9-23-11-13/h2-3,6,9-12,18-19H,4-5,7-8H2,1H3.
What are the key properties of 3-chloro-N-(5-hydroxy-3-thiophen-3-ylpentyl)-4-methoxybenzenesulfonamide?
3-chloro-N-(5-hydroxy-3-thiophen-3-ylpentyl)-4-methoxybenzenesulfonamide has a molecular weight of 389.93 g/mol, XLogP of 3.24, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5-hydroxy-3-thiophen-3-ylpentyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 122160833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).