5-chloro-N-[(1-cyclopropylcyclobutyl)methyl]pyridine-3-sulfonamide

C13H17ClN2O2S — CID 75432389

IUPAC5-chloro-N-[(1-cyclopropylcyclobutyl)methyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCC1(C2CC2)CCC1)c1cncc(Cl)c1
InChIInChI=1S/C13H17ClN2O2S/c14-11-6-12(8-15-7-11)19(17,18)16-9-13(4-1-5-13)10-2-3-10/h6-8,10,16H,1-5,9H2
InChIKeyZMYWTYHMLWGSIV-UHFFFAOYSA-N
MW300.81 g/mol
LogP2.59
Rot. Bonds5

About 5-chloro-N-[(1-cyclopropylcyclobutyl)methyl]pyridine-3-sulfonamide

5-chloro-N-[(1-cyclopropylcyclobutyl)methyl]pyridine-3-sulfonamide (PubChem CID 75432389) has the molecular formula C13H17ClN2O2S and a molecular weight of 300.81 g/mol. Its IUPAC name is 5-chloro-N-[(1-cyclopropylcyclobutyl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(1-cyclopropylcyclobutyl)methyl]pyridine-3-sulfonamide
PubChem CID75432389
Molecular FormulaC13H17ClN2O2S
Molecular Weight300.81 g/mol
Exact Mass300.07
IUPAC Name5-chloro-N-[(1-cyclopropylcyclobutyl)methyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCC1(C2CC2)CCC1)c1cncc(Cl)c1
InChIInChI=1S/C13H17ClN2O2S/c14-11-6-12(8-15-7-11)19(17,18)16-9-13(4-1-5-13)10-2-3-10/h6-8,10,16H,1-5,9H2
InChIKeyZMYWTYHMLWGSIV-UHFFFAOYSA-N
XLogP2.59
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.81
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1-cyclopropylcyclobutyl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-[(1-cyclopropylcyclobutyl)methyl]pyridine-3-sulfonamide (CID 75432389) is 5-chloro-N-[(1-cyclopropylcyclobutyl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(1-cyclopropylcyclobutyl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-[(1-cyclopropylcyclobutyl)methyl]pyridine-3-sulfonamide is O=S(=O)(NCC1(C2CC2)CCC1)c1cncc(Cl)c1.
What is the InChIKey of 5-chloro-N-[(1-cyclopropylcyclobutyl)methyl]pyridine-3-sulfonamide?
The InChIKey is ZMYWTYHMLWGSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2S/c14-11-6-12(8-15-7-11)19(17,18)16-9-13(4-1-5-13)10-2-3-10/h6-8,10,16H,1-5,9H2.
What are the key properties of 5-chloro-N-[(1-cyclopropylcyclobutyl)methyl]pyridine-3-sulfonamide?
5-chloro-N-[(1-cyclopropylcyclobutyl)methyl]pyridine-3-sulfonamide has a molecular weight of 300.81 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1-cyclopropylcyclobutyl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 75432389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).