5-bromo-N-cyclopropyl-N-(piperidin-4-ylmethyl)pyridine-3-sulfonamide

C14H20BrN3O2S — CID 79701921

IUPAC5-bromo-N-cyclopropyl-N-(piperidin-4-ylmethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(c1cncc(Br)c1)N(CC1CCNCC1)C1CC1
InChIInChI=1S/C14H20BrN3O2S/c15-12-7-14(9-17-8-12)21(19,20)18(13-1-2-13)10-11-3-5-16-6-4-11/h7-9,11,13,16H,1-6,10H2
InChIKeyVKMNPYNWJDFFQV-UHFFFAOYSA-N
MW374.30 g/mol
LogP2.00
Rot. Bonds5

About 5-bromo-N-cyclopropyl-N-(piperidin-4-ylmethyl)pyridine-3-sulfonamide

5-bromo-N-cyclopropyl-N-(piperidin-4-ylmethyl)pyridine-3-sulfonamide (PubChem CID 79701921) has the molecular formula C14H20BrN3O2S and a molecular weight of 374.30 g/mol. Its IUPAC name is 5-bromo-N-cyclopropyl-N-(piperidin-4-ylmethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-cyclopropyl-N-(piperidin-4-ylmethyl)pyridine-3-sulfonamide
PubChem CID79701921
Molecular FormulaC14H20BrN3O2S
Molecular Weight374.30 g/mol
Exact Mass373.05
IUPAC Name5-bromo-N-cyclopropyl-N-(piperidin-4-ylmethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(c1cncc(Br)c1)N(CC1CCNCC1)C1CC1
InChIInChI=1S/C14H20BrN3O2S/c15-12-7-14(9-17-8-12)21(19,20)18(13-1-2-13)10-11-3-5-16-6-4-11/h7-9,11,13,16H,1-6,10H2
InChIKeyVKMNPYNWJDFFQV-UHFFFAOYSA-N
XLogP2.00
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopropyl-N-(piperidin-4-ylmethyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-cyclopropyl-N-(piperidin-4-ylmethyl)pyridine-3-sulfonamide (CID 79701921) is 5-bromo-N-cyclopropyl-N-(piperidin-4-ylmethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-cyclopropyl-N-(piperidin-4-ylmethyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-cyclopropyl-N-(piperidin-4-ylmethyl)pyridine-3-sulfonamide is O=S(=O)(c1cncc(Br)c1)N(CC1CCNCC1)C1CC1.
What is the InChIKey of 5-bromo-N-cyclopropyl-N-(piperidin-4-ylmethyl)pyridine-3-sulfonamide?
The InChIKey is VKMNPYNWJDFFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O2S/c15-12-7-14(9-17-8-12)21(19,20)18(13-1-2-13)10-11-3-5-16-6-4-11/h7-9,11,13,16H,1-6,10H2.
What are the key properties of 5-bromo-N-cyclopropyl-N-(piperidin-4-ylmethyl)pyridine-3-sulfonamide?
5-bromo-N-cyclopropyl-N-(piperidin-4-ylmethyl)pyridine-3-sulfonamide has a molecular weight of 374.30 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopropyl-N-(piperidin-4-ylmethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 79701921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).