4-hydroxy-N-methyl-N-(2-methyl-5-thiophen-2-ylphenyl)benzenesulfonamide

C18H17NO3S2 — CID 67282795

IUPAC4-hydroxy-N-methyl-N-(2-methyl-5-thiophen-2-ylphenyl)benzenesulfonamide
SMILESCc1ccc(-c2cccs2)cc1N(C)S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C18H17NO3S2/c1-13-5-6-14(18-4-3-11-23-18)12-17(13)19(2)24(21,22)16-9-7-15(20)8-10-16/h3-12,20H,1-2H3
InChIKeyZFAQHVSIIFZANV-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.25
Rot. Bonds4

About 4-hydroxy-N-methyl-N-(2-methyl-5-thiophen-2-ylphenyl)benzenesulfonamide

4-hydroxy-N-methyl-N-(2-methyl-5-thiophen-2-ylphenyl)benzenesulfonamide (PubChem CID 67282795) has the molecular formula C18H17NO3S2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 4-hydroxy-N-methyl-N-(2-methyl-5-thiophen-2-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-hydroxy-N-methyl-N-(2-methyl-5-thiophen-2-ylphenyl)benzenesulfonamide
PubChem CID67282795
Molecular FormulaC18H17NO3S2
Molecular Weight359.47 g/mol
Exact Mass359.06
IUPAC Name4-hydroxy-N-methyl-N-(2-methyl-5-thiophen-2-ylphenyl)benzenesulfonamide
SMILESCc1ccc(-c2cccs2)cc1N(C)S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C18H17NO3S2/c1-13-5-6-14(18-4-3-11-23-18)12-17(13)19(2)24(21,22)16-9-7-15(20)8-10-16/h3-12,20H,1-2H3
InChIKeyZFAQHVSIIFZANV-UHFFFAOYSA-N
XLogP4.25
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(furan-3-yl)-2-methylphenyl]-4-hydroxy-N-methylbenzenesulfonamide
CID 67282472
N-[5-(5-cyanofuran-2-yl)-2-methylphenyl]-4-hydroxy-N-methylbenzenesulfonamide
CID 154073599
3-[benzenesulfonyl(methyl)amino]-4-methylbenzoic acid
CID 100552976
3-[(4-chlorophenyl)sulfonyl-methylamino]-4-methylbenzoic acid
CID 100553005
N-methyl-N-[(2-methyl-5-thiophen-2-ylphenyl)methyl]formamide
CID 138566649
2-methyl-5-thiophen-2-ylbenzoic acid
CID 65309680
2-(3-methylsulfonylphenyl)thiophene
CID 141164326
6-thiophen-2-ylnaphthalen-2-ol
CID 10878866
(2-methyl-5-thiophen-2-ylphenyl)hydrazine
CID 54385611
2,3-dimethyl-5-thiophen-2-ylphenol
CID 173292102
2,6-dithiophen-2-ylanthracene-9,10-dione
CID 11079243
4-methyl-N-(4-methylphenyl)sulfonyl-N-thiophen-2-ylbenzenesulfonamide
CID 11165697

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-methyl-N-(2-methyl-5-thiophen-2-ylphenyl)benzenesulfonamide?
The IUPAC name of 4-hydroxy-N-methyl-N-(2-methyl-5-thiophen-2-ylphenyl)benzenesulfonamide (CID 67282795) is 4-hydroxy-N-methyl-N-(2-methyl-5-thiophen-2-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-hydroxy-N-methyl-N-(2-methyl-5-thiophen-2-ylphenyl)benzenesulfonamide?
The canonical SMILES for 4-hydroxy-N-methyl-N-(2-methyl-5-thiophen-2-ylphenyl)benzenesulfonamide is Cc1ccc(-c2cccs2)cc1N(C)S(=O)(=O)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-methyl-N-(2-methyl-5-thiophen-2-ylphenyl)benzenesulfonamide?
The InChIKey is ZFAQHVSIIFZANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S2/c1-13-5-6-14(18-4-3-11-23-18)12-17(13)19(2)24(21,22)16-9-7-15(20)8-10-16/h3-12,20H,1-2H3.
What are the key properties of 4-hydroxy-N-methyl-N-(2-methyl-5-thiophen-2-ylphenyl)benzenesulfonamide?
4-hydroxy-N-methyl-N-(2-methyl-5-thiophen-2-ylphenyl)benzenesulfonamide has a molecular weight of 359.47 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-methyl-N-(2-methyl-5-thiophen-2-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 67282795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).