5-chloro-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]thiophene-2-sulfonamide

C13H18ClN5O2S2 — CID 122325526

IUPAC5-chloro-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]thiophene-2-sulfonamide
SMILESCCNc1nc(C)cc(NCCNS(=O)(=O)c2ccc(Cl)s2)n1
InChIInChI=1S/C13H18ClN5O2S2/c1-3-15-13-18-9(2)8-11(19-13)16-6-7-17-23(20,21)12-5-4-10(14)22-12/h4-5,8,17H,3,6-7H2,1-2H3,(H2,15,16,18,19)
InChIKeySSTCMNUCUFMAFY-UHFFFAOYSA-N
MW375.91 g/mol
LogP2.32
Rot. Bonds8

About 5-chloro-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]thiophene-2-sulfonamide

5-chloro-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]thiophene-2-sulfonamide (PubChem CID 122325526) has the molecular formula C13H18ClN5O2S2 and a molecular weight of 375.91 g/mol. Its IUPAC name is 5-chloro-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]thiophene-2-sulfonamide
PubChem CID122325526
Molecular FormulaC13H18ClN5O2S2
Molecular Weight375.91 g/mol
Exact Mass375.06
IUPAC Name5-chloro-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]thiophene-2-sulfonamide
SMILESCCNc1nc(C)cc(NCCNS(=O)(=O)c2ccc(Cl)s2)n1
InChIInChI=1S/C13H18ClN5O2S2/c1-3-15-13-18-9(2)8-11(19-13)16-6-7-17-23(20,21)12-5-4-10(14)22-12/h4-5,8,17H,3,6-7H2,1-2H3,(H2,15,16,18,19)
InChIKeySSTCMNUCUFMAFY-UHFFFAOYSA-N
XLogP2.32
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.91
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-chloro-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]thiophene-2-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

N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]thiophene-2-sulfonamide
CID 122325341
5-chloro-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-2-methoxybenzenesulfonamide
CID 122325569
1-(4-chlorophenyl)-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 122325548
5-chloro-N-[2-[(2-methylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide
CID 122150712
N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-2-(trifluoromethyl)benzenesulfonamide
CID 70703973
N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-1,2-dimethylimidazole-4-sulfonamide
CID 122325574
5-methyl-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]thiophene-2-sulfonamide
CID 122325163
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 122324529
N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-1-methylimidazole-4-sulfonamide
CID 122325559
N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 70703471
5-methyl-N-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide
CID 133395402
N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-4-methyl-3,5-dinitrobenzenesulfonamide
CID 122325620

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]thiophene-2-sulfonamide (CID 122325526) is 5-chloro-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]thiophene-2-sulfonamide is CCNc1nc(C)cc(NCCNS(=O)(=O)c2ccc(Cl)s2)n1.
What is the InChIKey of 5-chloro-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]thiophene-2-sulfonamide?
The InChIKey is SSTCMNUCUFMAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5O2S2/c1-3-15-13-18-9(2)8-11(19-13)16-6-7-17-23(20,21)12-5-4-10(14)22-12/h4-5,8,17H,3,6-7H2,1-2H3,(H2,15,16,18,19).
What are the key properties of 5-chloro-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]thiophene-2-sulfonamide?
5-chloro-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]thiophene-2-sulfonamide has a molecular weight of 375.91 g/mol, XLogP of 2.32, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 122325526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).