2-chloro-N-(2-methylpropyl)pyrimidine-5-sulfonamide

C8H12ClN3O2S — CID 43456284

IUPAC2-chloro-N-(2-methylpropyl)pyrimidine-5-sulfonamide
SMILESCC(C)CNS(=O)(=O)c1cnc(Cl)nc1
InChIInChI=1S/C8H12ClN3O2S/c1-6(2)3-12-15(13,14)7-4-10-8(9)11-5-7/h4-6,12H,3H2,1-2H3
InChIKeyQPBHNSJKZIOPSM-UHFFFAOYSA-N
MW249.72 g/mol
LogP1.06
Rot. Bonds4

About 2-chloro-N-(2-methylpropyl)pyrimidine-5-sulfonamide

2-chloro-N-(2-methylpropyl)pyrimidine-5-sulfonamide (PubChem CID 43456284) has the molecular formula C8H12ClN3O2S and a molecular weight of 249.72 g/mol. Its IUPAC name is 2-chloro-N-(2-methylpropyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-methylpropyl)pyrimidine-5-sulfonamide
PubChem CID43456284
Molecular FormulaC8H12ClN3O2S
Molecular Weight249.72 g/mol
Exact Mass249.03
IUPAC Name2-chloro-N-(2-methylpropyl)pyrimidine-5-sulfonamide
SMILESCC(C)CNS(=O)(=O)c1cnc(Cl)nc1
InChIInChI=1S/C8H12ClN3O2S/c1-6(2)3-12-15(13,14)7-4-10-8(9)11-5-7/h4-6,12H,3H2,1-2H3
InChIKeyQPBHNSJKZIOPSM-UHFFFAOYSA-N
XLogP1.06
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.72
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(2R)-2-hydroxypropyl]pyrimidine-5-sulfonamide
CID 107856808
5,6-dichloro-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 64624786
6-amino-5-chloro-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 64607743
2-chloro-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pyrimidine-5-sulfonamide
CID 61250547
2-chloro-N-propylpyrimidine-5-sulfonamide
CID 43456271
6-bromo-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 82048417
2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-5-sulfonamide
CID 106033837
2-chloro-N-(2-hydroxy-2-methylpropyl)pyrimidine-5-sulfonamide
CID 65107231
2-chloro-N-(6-methylheptan-2-yl)pyrimidine-5-sulfonamide
CID 61051308
2-chloro-N-(3,5-dimethylphenyl)pyrimidine-5-sulfonamide
CID 43456340
2-chloro-N-(cyclopropylmethyl)pyrimidine-5-sulfonamide
CID 43456299
2-chloro-N-(1-methoxypropan-2-yl)pyrimidine-5-sulfonamide
CID 43456403

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methylpropyl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-chloro-N-(2-methylpropyl)pyrimidine-5-sulfonamide (CID 43456284) is 2-chloro-N-(2-methylpropyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2-methylpropyl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(2-methylpropyl)pyrimidine-5-sulfonamide is CC(C)CNS(=O)(=O)c1cnc(Cl)nc1.
What is the InChIKey of 2-chloro-N-(2-methylpropyl)pyrimidine-5-sulfonamide?
The InChIKey is QPBHNSJKZIOPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O2S/c1-6(2)3-12-15(13,14)7-4-10-8(9)11-5-7/h4-6,12H,3H2,1-2H3.
What are the key properties of 2-chloro-N-(2-methylpropyl)pyrimidine-5-sulfonamide?
2-chloro-N-(2-methylpropyl)pyrimidine-5-sulfonamide has a molecular weight of 249.72 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methylpropyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 43456284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).