2,5-dichloro-N-[1-(4-methoxyphenyl)ethyl]thiophene-3-sulfonamide

C13H13Cl2NO3S2 — CID 5199198

IUPAC2,5-dichloro-N-[1-(4-methoxyphenyl)ethyl]thiophene-3-sulfonamide
SMILESCOc1ccc(C(C)NS(=O)(=O)c2cc(Cl)sc2Cl)cc1
InChIInChI=1S/C13H13Cl2NO3S2/c1-8(9-3-5-10(19-2)6-4-9)16-21(17,18)11-7-12(14)20-13(11)15/h3-8,16H,1-2H3
InChIKeyVTECFIPHSIUUCG-UHFFFAOYSA-N
MW366.29 g/mol
LogP4.10
Rot. Bonds5

About 2,5-dichloro-N-[1-(4-methoxyphenyl)ethyl]thiophene-3-sulfonamide

2,5-dichloro-N-[1-(4-methoxyphenyl)ethyl]thiophene-3-sulfonamide (PubChem CID 5199198) has the molecular formula C13H13Cl2NO3S2 and a molecular weight of 366.29 g/mol. Its IUPAC name is 2,5-dichloro-N-[1-(4-methoxyphenyl)ethyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[1-(4-methoxyphenyl)ethyl]thiophene-3-sulfonamide
PubChem CID5199198
Molecular FormulaC13H13Cl2NO3S2
Molecular Weight366.29 g/mol
Exact Mass364.97
IUPAC Name2,5-dichloro-N-[1-(4-methoxyphenyl)ethyl]thiophene-3-sulfonamide
SMILESCOc1ccc(C(C)NS(=O)(=O)c2cc(Cl)sc2Cl)cc1
InChIInChI=1S/C13H13Cl2NO3S2/c1-8(9-3-5-10(19-2)6-4-9)16-21(17,18)11-7-12(14)20-13(11)15/h3-8,16H,1-2H3
InChIKeyVTECFIPHSIUUCG-UHFFFAOYSA-N
XLogP4.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.29
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-3-sulfonamide
CID 103854257
2,5-dimethoxy-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 3852201
N-[(1S)-1-(4-methoxyphenyl)ethyl]methanesulfonamide
CID 81363887
2,5-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22201159
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 74226638
2-chloro-N-[1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 66194876
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide
CID 81368862
4-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 100585926
2-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-5-methylbenzenesulfonamide
CID 28560394
2,5-dichloro-N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]thiophene-3-sulfonamide
CID 6975848
N-(2-amino-5-methoxyphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 63258569
2,5-dimethoxy-N-[(1R)-1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 40638726

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[1-(4-methoxyphenyl)ethyl]thiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-[1-(4-methoxyphenyl)ethyl]thiophene-3-sulfonamide (CID 5199198) is 2,5-dichloro-N-[1-(4-methoxyphenyl)ethyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[1-(4-methoxyphenyl)ethyl]thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-[1-(4-methoxyphenyl)ethyl]thiophene-3-sulfonamide is COc1ccc(C(C)NS(=O)(=O)c2cc(Cl)sc2Cl)cc1.
What is the InChIKey of 2,5-dichloro-N-[1-(4-methoxyphenyl)ethyl]thiophene-3-sulfonamide?
The InChIKey is VTECFIPHSIUUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO3S2/c1-8(9-3-5-10(19-2)6-4-9)16-21(17,18)11-7-12(14)20-13(11)15/h3-8,16H,1-2H3.
What are the key properties of 2,5-dichloro-N-[1-(4-methoxyphenyl)ethyl]thiophene-3-sulfonamide?
2,5-dichloro-N-[1-(4-methoxyphenyl)ethyl]thiophene-3-sulfonamide has a molecular weight of 366.29 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[1-(4-methoxyphenyl)ethyl]thiophene-3-sulfonamide is sourced from PubChem (CID 5199198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).