2-chloro-N-(1-cyclopropylethyl)pyrimidine-5-sulfonamide

C9H12ClN3O2S — CID 43533478

IUPAC2-chloro-N-(1-cyclopropylethyl)pyrimidine-5-sulfonamide
SMILESCC(NS(=O)(=O)c1cnc(Cl)nc1)C1CC1
InChIInChI=1S/C9H12ClN3O2S/c1-6(7-2-3-7)13-16(14,15)8-4-11-9(10)12-5-8/h4-7,13H,2-3H2,1H3
InChIKeyQBESXDQOWTVAHE-UHFFFAOYSA-N
MW261.73 g/mol
LogP1.21
Rot. Bonds4

About 2-chloro-N-(1-cyclopropylethyl)pyrimidine-5-sulfonamide

2-chloro-N-(1-cyclopropylethyl)pyrimidine-5-sulfonamide (PubChem CID 43533478) has the molecular formula C9H12ClN3O2S and a molecular weight of 261.73 g/mol. Its IUPAC name is 2-chloro-N-(1-cyclopropylethyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(1-cyclopropylethyl)pyrimidine-5-sulfonamide
PubChem CID43533478
Molecular FormulaC9H12ClN3O2S
Molecular Weight261.73 g/mol
Exact Mass261.03
IUPAC Name2-chloro-N-(1-cyclopropylethyl)pyrimidine-5-sulfonamide
SMILESCC(NS(=O)(=O)c1cnc(Cl)nc1)C1CC1
InChIInChI=1S/C9H12ClN3O2S/c1-6(7-2-3-7)13-16(14,15)8-4-11-9(10)12-5-8/h4-7,13H,2-3H2,1H3
InChIKeyQBESXDQOWTVAHE-UHFFFAOYSA-N
XLogP1.21
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-cyclopropylethyl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-chloro-N-(1-cyclopropylethyl)pyrimidine-5-sulfonamide (CID 43533478) is 2-chloro-N-(1-cyclopropylethyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(1-cyclopropylethyl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(1-cyclopropylethyl)pyrimidine-5-sulfonamide is CC(NS(=O)(=O)c1cnc(Cl)nc1)C1CC1.
What is the InChIKey of 2-chloro-N-(1-cyclopropylethyl)pyrimidine-5-sulfonamide?
The InChIKey is QBESXDQOWTVAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2S/c1-6(7-2-3-7)13-16(14,15)8-4-11-9(10)12-5-8/h4-7,13H,2-3H2,1H3.
What are the key properties of 2-chloro-N-(1-cyclopropylethyl)pyrimidine-5-sulfonamide?
2-chloro-N-(1-cyclopropylethyl)pyrimidine-5-sulfonamide has a molecular weight of 261.73 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-cyclopropylethyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 43533478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).