4-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide

C12H17NO3S2 — CID 80742757

IUPAC4-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide
SMILESCC1(CNS(=O)(=O)c2ccc(O)cc2)CCCS1
InChIInChI=1S/C12H17NO3S2/c1-12(7-2-8-17-12)9-13-18(15,16)11-5-3-10(14)4-6-11/h3-6,13-14H,2,7-9H2,1H3
InChIKeyURYFQGQVDMADEA-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.96
Rot. Bonds4

About 4-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide

4-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide (PubChem CID 80742757) has the molecular formula C12H17NO3S2 and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide
PubChem CID80742757
Molecular FormulaC12H17NO3S2
Molecular Weight287.41 g/mol
Exact Mass287.06
IUPAC Name4-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide
SMILESCC1(CNS(=O)(=O)c2ccc(O)cc2)CCCS1
InChIInChI=1S/C12H17NO3S2/c1-12(7-2-8-17-12)9-13-18(15,16)11-5-3-10(14)4-6-11/h3-6,13-14H,2,7-9H2,1H3
InChIKeyURYFQGQVDMADEA-UHFFFAOYSA-N
XLogP1.96
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-methylthiolan-2-yl)methylsulfamoyl]benzenecarbothioamide
CID 80736830
3-(1-hydroxyethyl)-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide
CID 80743981
3-acetyl-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide
CID 80527077
N-[(2-methylthiolan-2-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide
CID 80743899
3-(1-aminopropyl)-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide
CID 80743494
3-chloro-4-(methylaminomethyl)-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide
CID 106073765
3-(methylaminomethyl)-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide
CID 106073676
N-[[1-(dimethylamino)cyclopentyl]methyl]-4-hydroxybenzenesulfonamide
CID 83121671
4-hydroxy-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide
CID 114116819
2-(aminomethyl)-N-[(2-methylthiolan-2-yl)methyl]thiophene-3-sulfonamide
CID 106073737
4-hydroxy-N-[(1-propylcyclopropyl)methyl]benzenesulfonamide
CID 114101242
4-amino-N-ethyl-3-[(2-methylthiolan-2-yl)methylamino]benzenesulfonamide
CID 82902157

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide (CID 80742757) is 4-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide is CC1(CNS(=O)(=O)c2ccc(O)cc2)CCCS1.
What is the InChIKey of 4-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide?
The InChIKey is URYFQGQVDMADEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S2/c1-12(7-2-8-17-12)9-13-18(15,16)11-5-3-10(14)4-6-11/h3-6,13-14H,2,7-9H2,1H3.
What are the key properties of 4-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide?
4-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide has a molecular weight of 287.41 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 80742757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).