N-[(4-hydroxyphenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide

C13H15NO3S2 — CID 54913854

IUPACN-[(4-hydroxyphenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)Cc2ccc(O)cc2)s1
InChIInChI=1S/C13H15NO3S2/c1-10-3-8-13(18-10)19(16,17)14(2)9-11-4-6-12(15)7-5-11/h3-8,15H,9H2,1-2H3
InChIKeyBDRGFCATXDVFHH-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.58
Rot. Bonds4

About N-[(4-hydroxyphenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide

N-[(4-hydroxyphenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide (PubChem CID 54913854) has the molecular formula C13H15NO3S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide
PubChem CID54913854
Molecular FormulaC13H15NO3S2
Molecular Weight297.40 g/mol
Exact Mass297.05
IUPAC NameN-[(4-hydroxyphenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)Cc2ccc(O)cc2)s1
InChIInChI=1S/C13H15NO3S2/c1-10-3-8-13(18-10)19(16,17)14(2)9-11-4-6-12(15)7-5-11/h3-8,15H,9H2,1-2H3
InChIKeyBDRGFCATXDVFHH-UHFFFAOYSA-N
XLogP2.58
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide
CID 47109851
N-[(4-hydroxyphenyl)methyl]-N-methylmethanesulfonamide
CID 61044122
N-[(4-bromothiophen-2-yl)methyl]-N,5-dimethylthiophene-2-sulfonamide
CID 47318970
1-hydroxy-4-[[methyl(sulfamoyl)amino]methyl]benzene
CID 112689195
N-[(2-methoxyphenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide
CID 39793326
N-[(4-hydroxyphenyl)methyl]-N-methylpropane-2-sulfonamide
CID 61043511
N-[(4-hydroxyphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 60959373
N-(1-benzofuran-2-ylmethyl)-N,5-dimethylthiophene-2-sulfonamide
CID 110732957
5-chloro-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide
CID 134017189
5-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 61418235
2-[(4-hydroxyphenyl)methyl-methylsulfamoyl]propanoic acid
CID 54947444
2,4-dibromo-N-[(4-hydroxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 61216392

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide?
The IUPAC name of N-[(4-hydroxyphenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide (CID 54913854) is N-[(4-hydroxyphenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)N(C)Cc2ccc(O)cc2)s1.
What is the InChIKey of N-[(4-hydroxyphenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide?
The InChIKey is BDRGFCATXDVFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S2/c1-10-3-8-13(18-10)19(16,17)14(2)9-11-4-6-12(15)7-5-11/h3-8,15H,9H2,1-2H3.
What are the key properties of N-[(4-hydroxyphenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide?
N-[(4-hydroxyphenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide has a molecular weight of 297.40 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide is sourced from PubChem (CID 54913854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).