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

C14H16ClNO4S2 — CID 86264143

IUPAC3-chloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCC(O)c2ccsc2)cc1Cl
InChIInChI=1S/C14H16ClNO4S2/c1-20-14-3-2-11(8-12(14)15)22(18,19)16-6-4-13(17)10-5-7-21-9-10/h2-3,5,7-9,13,16-17H,4,6H2,1H3
InChIKeyATVZMXQCCHPMPI-UHFFFAOYSA-N
MW361.87 g/mol
LogP2.81
Rot. Bonds7

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

3-chloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)-4-methoxybenzenesulfonamide (PubChem CID 86264143) has the molecular formula C14H16ClNO4S2 and a molecular weight of 361.87 g/mol. Its IUPAC name is 3-chloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)-4-methoxybenzenesulfonamide
PubChem CID86264143
Molecular FormulaC14H16ClNO4S2
Molecular Weight361.87 g/mol
Exact Mass361.02
IUPAC Name3-chloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCC(O)c2ccsc2)cc1Cl
InChIInChI=1S/C14H16ClNO4S2/c1-20-14-3-2-11(8-12(14)15)22(18,19)16-6-4-13(17)10-5-7-21-9-10/h2-3,5,7-9,13,16-17H,4,6H2,1H3
InChIKeyATVZMXQCCHPMPI-UHFFFAOYSA-N
XLogP2.81
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methoxybenzenesulfonamide
CID 90496616
3-chloro-N-(5-hydroxy-3-thiophen-3-ylpentyl)-4-methoxybenzenesulfonamide
CID 122160833
4-fluoro-N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-3-methylbenzenesulfonamide
CID 99981347
4-ethoxy-N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]benzenesulfonamide
CID 99981391
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-3-chloro-4-methoxybenzenesulfonamide
CID 16933285
3-chloro-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 37477959
3-chloro-N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-4-methoxybenzenesulfonamide
CID 99996993
5-chloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-methylbenzenesulfonamide
CID 121132222
3-chloro-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-4-methoxybenzenesulfonamide
CID 126852183
N-(3-hydroxy-3-thiophen-3-ylpropyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 121132245
5-chloro-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]-2-methoxybenzenesulfonamide
CID 52906915
N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-3-(trifluoromethyl)benzenesulfonamide
CID 99981469

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)-4-methoxybenzenesulfonamide?
The IUPAC name of 3-chloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)-4-methoxybenzenesulfonamide (CID 86264143) is 3-chloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCCC(O)c2ccsc2)cc1Cl.
What is the InChIKey of 3-chloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)-4-methoxybenzenesulfonamide?
The InChIKey is ATVZMXQCCHPMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO4S2/c1-20-14-3-2-11(8-12(14)15)22(18,19)16-6-4-13(17)10-5-7-21-9-10/h2-3,5,7-9,13,16-17H,4,6H2,1H3.
What are the key properties of 3-chloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)-4-methoxybenzenesulfonamide?
3-chloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)-4-methoxybenzenesulfonamide has a molecular weight of 361.87 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 86264143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).