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

C11H13ClN4O2S2 — CID 133397375

IUPACN-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide
SMILESCc1nc(Cl)cc(NCCNS(=O)(=O)c2cccs2)n1
InChIInChI=1S/C11H13ClN4O2S2/c1-8-15-9(12)7-10(16-8)13-4-5-14-20(17,18)11-3-2-6-19-11/h2-3,6-7,14H,4-5H2,1H3,(H,13,15,16)
InChIKeyVGSNXDPBCZFCOW-UHFFFAOYSA-N
MW332.84 g/mol
LogP1.89
Rot. Bonds6

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

N-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide (PubChem CID 133397375) has the molecular formula C11H13ClN4O2S2 and a molecular weight of 332.84 g/mol. Its IUPAC name is N-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide
PubChem CID133397375
Molecular FormulaC11H13ClN4O2S2
Molecular Weight332.84 g/mol
Exact Mass332.02
IUPAC NameN-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide
SMILESCc1nc(Cl)cc(NCCNS(=O)(=O)c2cccs2)n1
InChIInChI=1S/C11H13ClN4O2S2/c1-8-15-9(12)7-10(16-8)13-4-5-14-20(17,18)11-3-2-6-19-11/h2-3,6-7,14H,4-5H2,1H3,(H,13,15,16)
InChIKeyVGSNXDPBCZFCOW-UHFFFAOYSA-N
XLogP1.89
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide
CID 133472879
N-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]-N-methylthiophene-2-sulfonamide
CID 133387741
N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]thiophene-2-sulfonamide
CID 122325341
N-[2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethyl]thiophene-2-sulfonamide
CID 133397523
N-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 62658549
N-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide
CID 133397420
N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide
CID 22207435
N-[2-(3,4-dichlorophenyl)ethyl]thiophene-2-sulfonamide
CID 3810708
N-[2-(ethylamino)ethyl]thiophene-2-sulfonamide;hydrochloride
CID 119973565
tert-butyl N-[2-(thiophen-2-ylsulfonylamino)ethyl]carbamate
CID 47454485
5-chloro-6-[2-(thiophen-2-ylsulfonylamino)ethylamino]pyridine-3-carboxamide
CID 133397446
N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 110666587

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide (CID 133397375) is N-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide is Cc1nc(Cl)cc(NCCNS(=O)(=O)c2cccs2)n1.
What is the InChIKey of N-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide?
The InChIKey is VGSNXDPBCZFCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O2S2/c1-8-15-9(12)7-10(16-8)13-4-5-14-20(17,18)11-3-2-6-19-11/h2-3,6-7,14H,4-5H2,1H3,(H,13,15,16).
What are the key properties of N-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide?
N-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide has a molecular weight of 332.84 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 133397375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).