N-(1-butylpiperidin-4-yl)-2-chloropyrimidine-5-sulfonamide

C13H21ClN4O2S — CID 61050841

IUPACN-(1-butylpiperidin-4-yl)-2-chloropyrimidine-5-sulfonamide
SMILESCCCCN1CCC(NS(=O)(=O)c2cnc(Cl)nc2)CC1
InChIInChI=1S/C13H21ClN4O2S/c1-2-3-6-18-7-4-11(5-8-18)17-21(19,20)12-9-15-13(14)16-10-12/h9-11,17H,2-8H2,1H3
InChIKeyFAFPBWIZJPUKOK-UHFFFAOYSA-N
MW332.86 g/mol
LogP1.67
Rot. Bonds6

About N-(1-butylpiperidin-4-yl)-2-chloropyrimidine-5-sulfonamide

N-(1-butylpiperidin-4-yl)-2-chloropyrimidine-5-sulfonamide (PubChem CID 61050841) has the molecular formula C13H21ClN4O2S and a molecular weight of 332.86 g/mol. Its IUPAC name is N-(1-butylpiperidin-4-yl)-2-chloropyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(1-butylpiperidin-4-yl)-2-chloropyrimidine-5-sulfonamide
PubChem CID61050841
Molecular FormulaC13H21ClN4O2S
Molecular Weight332.86 g/mol
Exact Mass332.11
IUPAC NameN-(1-butylpiperidin-4-yl)-2-chloropyrimidine-5-sulfonamide
SMILESCCCCN1CCC(NS(=O)(=O)c2cnc(Cl)nc2)CC1
InChIInChI=1S/C13H21ClN4O2S/c1-2-3-6-18-7-4-11(5-8-18)17-21(19,20)12-9-15-13(14)16-10-12/h9-11,17H,2-8H2,1H3
InChIKeyFAFPBWIZJPUKOK-UHFFFAOYSA-N
XLogP1.67
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.86
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-butylpiperidin-4-yl)-2-chloropyrimidine-5-sulfonamide?
The IUPAC name of N-(1-butylpiperidin-4-yl)-2-chloropyrimidine-5-sulfonamide (CID 61050841) is N-(1-butylpiperidin-4-yl)-2-chloropyrimidine-5-sulfonamide.
What is the SMILES notation for N-(1-butylpiperidin-4-yl)-2-chloropyrimidine-5-sulfonamide?
The canonical SMILES for N-(1-butylpiperidin-4-yl)-2-chloropyrimidine-5-sulfonamide is CCCCN1CCC(NS(=O)(=O)c2cnc(Cl)nc2)CC1.
What is the InChIKey of N-(1-butylpiperidin-4-yl)-2-chloropyrimidine-5-sulfonamide?
The InChIKey is FAFPBWIZJPUKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O2S/c1-2-3-6-18-7-4-11(5-8-18)17-21(19,20)12-9-15-13(14)16-10-12/h9-11,17H,2-8H2,1H3.
What are the key properties of N-(1-butylpiperidin-4-yl)-2-chloropyrimidine-5-sulfonamide?
N-(1-butylpiperidin-4-yl)-2-chloropyrimidine-5-sulfonamide has a molecular weight of 332.86 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butylpiperidin-4-yl)-2-chloropyrimidine-5-sulfonamide is sourced from PubChem (CID 61050841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).