2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-5-sulfonamide

C11H19ClN4O2S — CID 106033837

IUPAC2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-5-sulfonamide
SMILESCC(C)N(C)CCCNS(=O)(=O)c1cnc(Cl)nc1
InChIInChI=1S/C11H19ClN4O2S/c1-9(2)16(3)6-4-5-15-19(17,18)10-7-13-11(12)14-8-10/h7-9,15H,4-6H2,1-3H3
InChIKeyXQBLEHTZERIHCA-UHFFFAOYSA-N
MW306.82 g/mol
LogP1.14
Rot. Bonds7

About 2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-5-sulfonamide

2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-5-sulfonamide (PubChem CID 106033837) has the molecular formula C11H19ClN4O2S and a molecular weight of 306.82 g/mol. Its IUPAC name is 2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-5-sulfonamide
PubChem CID106033837
Molecular FormulaC11H19ClN4O2S
Molecular Weight306.82 g/mol
Exact Mass306.09
IUPAC Name2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-5-sulfonamide
SMILESCC(C)N(C)CCCNS(=O)(=O)c1cnc(Cl)nc1
InChIInChI=1S/C11H19ClN4O2S/c1-9(2)16(3)6-4-5-15-19(17,18)10-7-13-11(12)14-8-10/h7-9,15H,4-6H2,1-3H3
InChIKeyXQBLEHTZERIHCA-UHFFFAOYSA-N
XLogP1.14
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,6-dichloro-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-sulfonamide
CID 64608986
N-[3-[methyl(propan-2-yl)amino]propyl]-1H-pyrazole-4-sulfonamide
CID 113226739
2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3-thiazole-5-sulfonamide
CID 106033856
2-chloro-N-propylpyrimidine-5-sulfonamide
CID 43456271
methyl 4-[(2-chloropyrimidin-5-yl)sulfonylamino]butanoate
CID 61249062
4-hydroxy-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide
CID 106037908
2-chloro-N-(2-methylpropyl)pyrimidine-5-sulfonamide
CID 43456284
3-amino-4-chloro-5-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide
CID 106034417
2-chloro-N-[(2R)-2-hydroxypropyl]pyrimidine-5-sulfonamide
CID 107856808
2-chloro-N-(3-phenylpropyl)pyrimidine-5-sulfonamide
CID 60905954
3-amino-4-ethyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide
CID 106034450
3-amino-4-bromo-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide
CID 106034348

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-5-sulfonamide?
The IUPAC name of 2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-5-sulfonamide (CID 106033837) is 2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-5-sulfonamide?
The canonical SMILES for 2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-5-sulfonamide is CC(C)N(C)CCCNS(=O)(=O)c1cnc(Cl)nc1.
What is the InChIKey of 2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-5-sulfonamide?
The InChIKey is XQBLEHTZERIHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4O2S/c1-9(2)16(3)6-4-5-15-19(17,18)10-7-13-11(12)14-8-10/h7-9,15H,4-6H2,1-3H3.
What are the key properties of 2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-5-sulfonamide?
2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-5-sulfonamide has a molecular weight of 306.82 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-5-sulfonamide is sourced from PubChem (CID 106033837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).