2-chloro-N-(6-methylheptan-2-yl)pyrimidine-5-sulfonamide

C12H20ClN3O2S — CID 61051308

IUPAC2-chloro-N-(6-methylheptan-2-yl)pyrimidine-5-sulfonamide
SMILESCC(C)CCCC(C)NS(=O)(=O)c1cnc(Cl)nc1
InChIInChI=1S/C12H20ClN3O2S/c1-9(2)5-4-6-10(3)16-19(17,18)11-7-14-12(13)15-8-11/h7-10,16H,4-6H2,1-3H3
InChIKeyTVJJLIUGJRYHQX-UHFFFAOYSA-N
MW305.83 g/mol
LogP2.62
Rot. Bonds7

About 2-chloro-N-(6-methylheptan-2-yl)pyrimidine-5-sulfonamide

2-chloro-N-(6-methylheptan-2-yl)pyrimidine-5-sulfonamide (PubChem CID 61051308) has the molecular formula C12H20ClN3O2S and a molecular weight of 305.83 g/mol. Its IUPAC name is 2-chloro-N-(6-methylheptan-2-yl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(6-methylheptan-2-yl)pyrimidine-5-sulfonamide
PubChem CID61051308
Molecular FormulaC12H20ClN3O2S
Molecular Weight305.83 g/mol
Exact Mass305.10
IUPAC Name2-chloro-N-(6-methylheptan-2-yl)pyrimidine-5-sulfonamide
SMILESCC(C)CCCC(C)NS(=O)(=O)c1cnc(Cl)nc1
InChIInChI=1S/C12H20ClN3O2S/c1-9(2)5-4-6-10(3)16-19(17,18)11-7-14-12(13)15-8-11/h7-10,16H,4-6H2,1-3H3
InChIKeyTVJJLIUGJRYHQX-UHFFFAOYSA-N
XLogP2.62
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-(6-methylheptan-2-yl)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-(6-methylheptan-2-yl)pyridine-3-sulfonamide
CID 64608367
2-chloro-N-(1-methoxypropan-2-yl)pyrimidine-5-sulfonamide
CID 43456403
2-amino-N-(6-methylheptan-2-yl)pyridine-4-sulfonamide
CID 62153139
2-chloro-N-(2-methylpropyl)pyrimidine-5-sulfonamide
CID 43456284
4-hydroxy-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 61470475
4-bromo-N-[(2R)-6-methylheptan-2-yl]benzenesulfonamide
CID 2289585
2-(methylamino)-N-(6-methylheptan-2-yl)pyridine-4-sulfonamide
CID 62152785
2-chloro-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-5-sulfonamide
CID 61052500
4-(methylaminomethyl)-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 61470913
4-(1-aminoethyl)-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 61470980
4-methoxy-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 19681894
2-hydrazinyl-N-(6-methylheptan-2-yl)pyridine-4-sulfonamide
CID 61470948

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(6-methylheptan-2-yl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-chloro-N-(6-methylheptan-2-yl)pyrimidine-5-sulfonamide (CID 61051308) is 2-chloro-N-(6-methylheptan-2-yl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(6-methylheptan-2-yl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(6-methylheptan-2-yl)pyrimidine-5-sulfonamide is CC(C)CCCC(C)NS(=O)(=O)c1cnc(Cl)nc1.
What is the InChIKey of 2-chloro-N-(6-methylheptan-2-yl)pyrimidine-5-sulfonamide?
The InChIKey is TVJJLIUGJRYHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O2S/c1-9(2)5-4-6-10(3)16-19(17,18)11-7-14-12(13)15-8-11/h7-10,16H,4-6H2,1-3H3.
What are the key properties of 2-chloro-N-(6-methylheptan-2-yl)pyrimidine-5-sulfonamide?
2-chloro-N-(6-methylheptan-2-yl)pyrimidine-5-sulfonamide has a molecular weight of 305.83 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(6-methylheptan-2-yl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 61051308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).