4-hydroxy-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide

C12H13NO3S2 — CID 43528520

IUPAC4-hydroxy-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
SMILESCN(Cc1ccsc1)S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C12H13NO3S2/c1-13(8-10-6-7-17-9-10)18(15,16)12-4-2-11(14)3-5-12/h2-7,9,14H,8H2,1H3
InChIKeySEIJLFQHPZTDPE-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.27
Rot. Bonds4

About 4-hydroxy-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide

4-hydroxy-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide (PubChem CID 43528520) has the molecular formula C12H13NO3S2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 4-hydroxy-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-hydroxy-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
PubChem CID43528520
Molecular FormulaC12H13NO3S2
Molecular Weight283.37 g/mol
Exact Mass283.03
IUPAC Name4-hydroxy-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
SMILESCN(Cc1ccsc1)S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C12H13NO3S2/c1-13(8-10-6-7-17-9-10)18(15,16)12-4-2-11(14)3-5-12/h2-7,9,14H,8H2,1H3
InChIKeySEIJLFQHPZTDPE-UHFFFAOYSA-N
XLogP2.27
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-(methylamino)-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 43528516
4-hydrazinyl-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 43528511
2-hydroxy-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 81241113
3-(1-hydroxyethyl)-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 43528546
2-chloro-N-methyl-N-(thiophen-3-ylmethyl)pyrimidine-5-sulfonamide
CID 43528240
4-amino-3-chloro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 115329710
N-methyl-N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421876
N-[4-[(4-hydroxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 139950958
3-amino-4-fluoro-N,5-dimethyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 115421234
3-chloro-N,4-dimethyl-5-nitro-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 9190935
(3S)-N,3-dimethyl-2-oxo-N-(thiophen-3-ylmethyl)-1,3-dihydroindole-5-sulfonamide
CID 9190933
2-(chloromethyl)-N,4-dimethyl-N-(thiophen-3-ylmethyl)thiophene-3-sulfonamide
CID 102750411

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-hydroxy-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide (CID 43528520) is 4-hydroxy-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-hydroxy-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-hydroxy-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide is CN(Cc1ccsc1)S(=O)(=O)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide?
The InChIKey is SEIJLFQHPZTDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3S2/c1-13(8-10-6-7-17-9-10)18(15,16)12-4-2-11(14)3-5-12/h2-7,9,14H,8H2,1H3.
What are the key properties of 4-hydroxy-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide?
4-hydroxy-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide has a molecular weight of 283.37 g/mol, XLogP of 2.27, 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-(thiophen-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 43528520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).