2-chloro-N-propylpyrimidine-5-sulfonamide

C7H10ClN3O2S — CID 43456271

IUPAC2-chloro-N-propylpyrimidine-5-sulfonamide
SMILESCCCNS(=O)(=O)c1cnc(Cl)nc1
InChIInChI=1S/C7H10ClN3O2S/c1-2-3-11-14(12,13)6-4-9-7(8)10-5-6/h4-5,11H,2-3H2,1H3
InChIKeyPPFZBGKFWYJPDR-UHFFFAOYSA-N
MW235.70 g/mol
LogP0.82
Rot. Bonds4

About 2-chloro-N-propylpyrimidine-5-sulfonamide

2-chloro-N-propylpyrimidine-5-sulfonamide (PubChem CID 43456271) has the molecular formula C7H10ClN3O2S and a molecular weight of 235.70 g/mol. Its IUPAC name is 2-chloro-N-propylpyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-propylpyrimidine-5-sulfonamide
PubChem CID43456271
Molecular FormulaC7H10ClN3O2S
Molecular Weight235.70 g/mol
Exact Mass235.02
IUPAC Name2-chloro-N-propylpyrimidine-5-sulfonamide
SMILESCCCNS(=O)(=O)c1cnc(Cl)nc1
InChIInChI=1S/C7H10ClN3O2S/c1-2-3-11-14(12,13)6-4-9-7(8)10-5-6/h4-5,11H,2-3H2,1H3
InChIKeyPPFZBGKFWYJPDR-UHFFFAOYSA-N
XLogP0.82
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.70
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(2-methylpropyl)pyrimidine-5-sulfonamide
CID 43456284
2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-5-sulfonamide
CID 106033837
5-chloro-6-hydrazinyl-N-propylpyridine-3-sulfonamide
CID 64607208
methyl 4-[(2-chloropyrimidin-5-yl)sulfonylamino]butanoate
CID 61249062
2-chloro-N-(2-hydroxy-2-methylpropyl)pyrimidine-5-sulfonamide
CID 65107231
2-chloro-N-[(2R)-2-hydroxypropyl]pyrimidine-5-sulfonamide
CID 107856808
2-chloro-N-[2-(2-methylphenyl)ethyl]pyrimidine-5-sulfonamide
CID 79763049
2-chloro-N-[(4-ethylcyclohexyl)methyl]pyrimidine-5-sulfonamide
CID 61053689
2-chloro-N-(3-phenylpropyl)pyrimidine-5-sulfonamide
CID 60905954
2-chloro-N-(cyclopropylmethyl)pyrimidine-5-sulfonamide
CID 43456299
2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-5-sulfonamide
CID 114183471
6-cyano-N-propylpyridine-3-sulfonamide
CID 115602408

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-propylpyrimidine-5-sulfonamide?
The IUPAC name of 2-chloro-N-propylpyrimidine-5-sulfonamide (CID 43456271) is 2-chloro-N-propylpyrimidine-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-propylpyrimidine-5-sulfonamide?
The canonical SMILES for 2-chloro-N-propylpyrimidine-5-sulfonamide is CCCNS(=O)(=O)c1cnc(Cl)nc1.
What is the InChIKey of 2-chloro-N-propylpyrimidine-5-sulfonamide?
The InChIKey is PPFZBGKFWYJPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O2S/c1-2-3-11-14(12,13)6-4-9-7(8)10-5-6/h4-5,11H,2-3H2,1H3.
What are the key properties of 2-chloro-N-propylpyrimidine-5-sulfonamide?
2-chloro-N-propylpyrimidine-5-sulfonamide has a molecular weight of 235.70 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-propylpyrimidine-5-sulfonamide is sourced from PubChem (CID 43456271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).