2,5-dichloro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylthiophene-3-sulfonamide

C13H13Cl2NO3S2 — CID 61043471

IUPAC2,5-dichloro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylthiophene-3-sulfonamide
SMILESCC(c1ccc(O)cc1)N(C)S(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C13H13Cl2NO3S2/c1-8(9-3-5-10(17)6-4-9)16(2)21(18,19)11-7-12(14)20-13(11)15/h3-8,17H,1-2H3
InChIKeyMQQDJKDZAJVCJP-UHFFFAOYSA-N
MW366.29 g/mol
LogP4.14
Rot. Bonds4

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

2,5-dichloro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylthiophene-3-sulfonamide (PubChem CID 61043471) has the molecular formula C13H13Cl2NO3S2 and a molecular weight of 366.29 g/mol. Its IUPAC name is 2,5-dichloro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylthiophene-3-sulfonamide
PubChem CID61043471
Molecular FormulaC13H13Cl2NO3S2
Molecular Weight366.29 g/mol
Exact Mass364.97
IUPAC Name2,5-dichloro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylthiophene-3-sulfonamide
SMILESCC(c1ccc(O)cc1)N(C)S(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C13H13Cl2NO3S2/c1-8(9-3-5-10(17)6-4-9)16(2)21(18,19)11-7-12(14)20-13(11)15/h3-8,17H,1-2H3
InChIKeyMQQDJKDZAJVCJP-UHFFFAOYSA-N
XLogP4.14
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.29
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2,2,2-trichloro-1-(4-hydroxyphenyl)ethyl]-2-thiophenesulfonamide
CID 12063626
4-[1-[2-(5-Chlorothiophen-2-yl)ethylamino]ethyl]-3-fluorophenol
CID 106041812
4-[1-[1-(5-Chlorothiophen-2-yl)ethylamino]ethyl]-3-fluorophenol
CID 107714803
4-[[1-(5-Chlorothiophen-2-yl)ethylamino]methyl]-2-fluorophenol
CID 113261851
4-[1-[(5-Chlorothiophen-2-yl)methylamino]ethyl]-3-fluorophenol
CID 113992839
4-[1-[2-(4-Chlorophenyl)sulfonylethyl]pyrrolidin-2-yl]phenol
CID 47075243
2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-[(4-hydroxyphenyl)methyl]-N-methylacetamide
CID 51132094
4-[(4-Hydroxyphenyl) (methylamino) methyl]-2-thiophenesulfonamide
CID 14773367
5-chloro-N-[(1S)-1-(2-hydroxyphenyl)ethyl]thiophene-2-sulfonamide
CID 69953907
5-chloro-N-(1,3-dihydroxypropan-2-yl)-N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 89910781
2,5-dichloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]thiophene-3-sulfonamide
CID 33613407
5-chloro-N-[(4-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 40025995

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylthiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylthiophene-3-sulfonamide (CID 61043471) is 2,5-dichloro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylthiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylthiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylthiophene-3-sulfonamide is CC(c1ccc(O)cc1)N(C)S(=O)(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylthiophene-3-sulfonamide?
The InChIKey is MQQDJKDZAJVCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO3S2/c1-8(9-3-5-10(17)6-4-9)16(2)21(18,19)11-7-12(14)20-13(11)15/h3-8,17H,1-2H3.
What are the key properties of 2,5-dichloro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylthiophene-3-sulfonamide?
2,5-dichloro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylthiophene-3-sulfonamide has a molecular weight of 366.29 g/mol, XLogP of 4.14, 4 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-hydroxyphenyl)ethyl]-N-methylthiophene-3-sulfonamide is sourced from PubChem (CID 61043471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).