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

C11H13ClN4O2S2 — CID 122150712

IUPAC5-chloro-N-[2-[(2-methylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide
SMILESCc1nccc(NCCNS(=O)(=O)c2ccc(Cl)s2)n1
InChIInChI=1S/C11H13ClN4O2S2/c1-8-13-5-4-10(16-8)14-6-7-15-20(17,18)11-3-2-9(12)19-11/h2-5,15H,6-7H2,1H3,(H,13,14,16)
InChIKeyUPCYYICDGIGSKD-UHFFFAOYSA-N
MW332.84 g/mol
LogP1.89
Rot. Bonds6

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

5-chloro-N-[2-[(2-methylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide (PubChem CID 122150712) has the molecular formula C11H13ClN4O2S2 and a molecular weight of 332.84 g/mol. Its IUPAC name is 5-chloro-N-[2-[(2-methylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-[(2-methylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide
PubChem CID122150712
Molecular FormulaC11H13ClN4O2S2
Molecular Weight332.84 g/mol
Exact Mass332.02
IUPAC Name5-chloro-N-[2-[(2-methylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide
SMILESCc1nccc(NCCNS(=O)(=O)c2ccc(Cl)s2)n1
InChIInChI=1S/C11H13ClN4O2S2/c1-8-13-5-4-10(16-8)14-6-7-15-20(17,18)11-3-2-9(12)19-11/h2-5,15H,6-7H2,1H3,(H,13,14,16)
InChIKeyUPCYYICDGIGSKD-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-[(2-tert-butylpyrimidin-4-yl)amino]ethyl]-5-methylthiophene-2-sulfonamide
CID 133395387
5-chloro-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]thiophene-2-sulfonamide
CID 122325526
5-chloro-N-[3-(2-methylimidazol-1-yl)propyl]thiophene-2-sulfonamide
CID 56684506
5-chloro-N-[2-(4-methylsulfonylanilino)ethyl]thiophene-2-sulfonamide
CID 133451579
5-chloro-N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide
CID 22207436
5-chloro-N-heptylthiophene-2-sulfonamide
CID 19681281
5-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]thiophene-2-sulfonamide
CID 22207528
N-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide
CID 133397375
5-chloro-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]thiophene-2-sulfonamide
CID 110446126
N-(2-fluoroethyl)-2-methylpyrimidin-4-amine
CID 130478085
5-chloro-N-hex-5-ynylthiophene-2-sulfonamide
CID 103756996
5-chloro-N-(3-pyrrol-1-ylpropyl)thiophene-2-sulfonamide
CID 110721121

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[(2-methylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[2-[(2-methylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide (CID 122150712) is 5-chloro-N-[2-[(2-methylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-[(2-methylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-[(2-methylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide is Cc1nccc(NCCNS(=O)(=O)c2ccc(Cl)s2)n1.
What is the InChIKey of 5-chloro-N-[2-[(2-methylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide?
The InChIKey is UPCYYICDGIGSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O2S2/c1-8-13-5-4-10(16-8)14-6-7-15-20(17,18)11-3-2-9(12)19-11/h2-5,15H,6-7H2,1H3,(H,13,14,16).
What are the key properties of 5-chloro-N-[2-[(2-methylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide?
5-chloro-N-[2-[(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 5-chloro-N-[2-[(2-methylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 122150712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).