3-chloro-4-(hydroxymethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide

C10H10ClN3O4S — CID 106410526

IUPAC3-chloro-4-(hydroxymethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ncon1)c1ccc(CO)c(Cl)c1
InChIInChI=1S/C10H10ClN3O4S/c11-9-3-8(2-1-7(9)5-15)19(16,17)13-4-10-12-6-18-14-10/h1-3,6,13,15H,4-5H2
InChIKeyHYMYMQNLFDLLAP-UHFFFAOYSA-N
MW303.73 g/mol
LogP0.69
Rot. Bonds5

About 3-chloro-4-(hydroxymethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide

3-chloro-4-(hydroxymethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide (PubChem CID 106410526) has the molecular formula C10H10ClN3O4S and a molecular weight of 303.73 g/mol. Its IUPAC name is 3-chloro-4-(hydroxymethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-(hydroxymethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
PubChem CID106410526
Molecular FormulaC10H10ClN3O4S
Molecular Weight303.73 g/mol
Exact Mass303.01
IUPAC Name3-chloro-4-(hydroxymethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ncon1)c1ccc(CO)c(Cl)c1
InChIInChI=1S/C10H10ClN3O4S/c11-9-3-8(2-1-7(9)5-15)19(16,17)13-4-10-12-6-18-14-10/h1-3,6,13,15H,4-5H2
InChIKeyHYMYMQNLFDLLAP-UHFFFAOYSA-N
XLogP0.69
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.73
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106402302
3-chloro-N-ethyl-4-(hydroxymethyl)benzenesulfonamide
CID 107090660
3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 114182887
4-(1-aminoethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106401433
3-(aminomethyl)-4-ethoxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106410846
3-bromo-4-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106407015
3-amino-2,4-dichloro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106392127
4-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-sulfonamide
CID 106396376
4-(2-aminoethoxy)-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106410993
3-chloro-4-(hydroxymethyl)-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 107090907
2-amino-5-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106392142
4-[1-(ethylamino)ethyl]-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106401421

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(hydroxymethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-(hydroxymethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide (CID 106410526) is 3-chloro-4-(hydroxymethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-(hydroxymethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-(hydroxymethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1ncon1)c1ccc(CO)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(hydroxymethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide?
The InChIKey is HYMYMQNLFDLLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O4S/c11-9-3-8(2-1-7(9)5-15)19(16,17)13-4-10-12-6-18-14-10/h1-3,6,13,15H,4-5H2.
What are the key properties of 3-chloro-4-(hydroxymethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide?
3-chloro-4-(hydroxymethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide has a molecular weight of 303.73 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(hydroxymethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106410526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).