2,5-dichloro-N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]thiophene-3-sulfonamide

C14H15Cl2NO5S2 — CID 6975848

IUPAC2,5-dichloro-N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]thiophene-3-sulfonamide
SMILESCOc1ccc(OC[C@H](O)CNS(=O)(=O)c2cc(Cl)sc2Cl)cc1
InChIInChI=1S/C14H15Cl2NO5S2/c1-21-10-2-4-11(5-3-10)22-8-9(18)7-17-24(19,20)12-6-13(15)23-14(12)16/h2-6,9,17-18H,7-8H2,1H3/t9-/m1/s1
InChIKeyLHIYSFBTZFZVAN-SECBINFHSA-N
MW412.32 g/mol
LogP2.78
Rot. Bonds8

About 2,5-dichloro-N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]thiophene-3-sulfonamide

2,5-dichloro-N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]thiophene-3-sulfonamide (PubChem CID 6975848) has the molecular formula C14H15Cl2NO5S2 and a molecular weight of 412.32 g/mol. Its IUPAC name is 2,5-dichloro-N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]thiophene-3-sulfonamide
PubChem CID6975848
Molecular FormulaC14H15Cl2NO5S2
Molecular Weight412.32 g/mol
Exact Mass410.98
IUPAC Name2,5-dichloro-N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]thiophene-3-sulfonamide
SMILESCOc1ccc(OC[C@H](O)CNS(=O)(=O)c2cc(Cl)sc2Cl)cc1
InChIInChI=1S/C14H15Cl2NO5S2/c1-21-10-2-4-11(5-3-10)22-8-9(18)7-17-24(19,20)12-6-13(15)23-14(12)16/h2-6,9,17-18H,7-8H2,1H3/t9-/m1/s1
InChIKeyLHIYSFBTZFZVAN-SECBINFHSA-N
XLogP2.78
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.32
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]benzenesulfonamide
CID 6930429
N-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]thiophene-2-sulfonamide
CID 6930511
2,5-dichloro-N-(3-hydroxy-4-methoxybutyl)thiophene-3-sulfonamide
CID 113343427
N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-pyridin-2-ylthiophene-2-sulfonamide
CID 2812612
N-[2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]ethyl]methanesulfonamide
CID 60909902
2,5-dichloro-N-[(2,4-dimethoxyphenyl)methyl]thiophene-3-sulfonamide
CID 5157003
2,5-dichloro-N-[2-(3-methoxyphenoxy)ethyl]thiophene-3-sulfonamide
CID 34111661
N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 6975865
1-(4-methoxyanilino)-3-(4-methoxyphenoxy)propan-2-ol
CID 16800318
1-(4-chlorophenoxy)-3-(4-methoxyanilino)propan-2-ol
CID 23856239
2,5-dichloro-N-(3-chloro-2-methylpropyl)thiophene-3-sulfonamide
CID 65036898
2,5-dichloro-N-(2-phenylpropyl)thiophene-3-sulfonamide
CID 55365000

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]thiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]thiophene-3-sulfonamide (CID 6975848) is 2,5-dichloro-N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]thiophene-3-sulfonamide is COc1ccc(OC[C@H](O)CNS(=O)(=O)c2cc(Cl)sc2Cl)cc1.
What is the InChIKey of 2,5-dichloro-N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]thiophene-3-sulfonamide?
The InChIKey is LHIYSFBTZFZVAN-SECBINFHSA-N. The full InChI is InChI=1S/C14H15Cl2NO5S2/c1-21-10-2-4-11(5-3-10)22-8-9(18)7-17-24(19,20)12-6-13(15)23-14(12)16/h2-6,9,17-18H,7-8H2,1H3/t9-/m1/s1.
What are the key properties of 2,5-dichloro-N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]thiophene-3-sulfonamide?
2,5-dichloro-N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]thiophene-3-sulfonamide has a molecular weight of 412.32 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]thiophene-3-sulfonamide is sourced from PubChem (CID 6975848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).