3-chloro-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]benzenesulfonamide

C15H20ClN5O2S — CID 121075572

IUPAC3-chloro-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]benzenesulfonamide
SMILESCc1cc(N(C)C)nc(NCCNS(=O)(=O)c2cccc(Cl)c2)n1
InChIInChI=1S/C15H20ClN5O2S/c1-11-9-14(21(2)3)20-15(19-11)17-7-8-18-24(22,23)13-6-4-5-12(16)10-13/h4-6,9-10,18H,7-8H2,1-3H3,(H,17,19,20)
InChIKeyWXVLDEOWZYHSBV-UHFFFAOYSA-N
MW369.88 g/mol
LogP1.89
Rot. Bonds7

About 3-chloro-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]benzenesulfonamide

3-chloro-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]benzenesulfonamide (PubChem CID 121075572) has the molecular formula C15H20ClN5O2S and a molecular weight of 369.88 g/mol. Its IUPAC name is 3-chloro-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]benzenesulfonamide
PubChem CID121075572
Molecular FormulaC15H20ClN5O2S
Molecular Weight369.88 g/mol
Exact Mass369.10
IUPAC Name3-chloro-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]benzenesulfonamide
SMILESCc1cc(N(C)C)nc(NCCNS(=O)(=O)c2cccc(Cl)c2)n1
InChIInChI=1S/C15H20ClN5O2S/c1-11-9-14(21(2)3)20-15(19-11)17-7-8-18-24(22,23)13-6-4-5-12(16)10-13/h4-6,9-10,18H,7-8H2,1-3H3,(H,17,19,20)
InChIKeyWXVLDEOWZYHSBV-UHFFFAOYSA-N
XLogP1.89
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.88
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

3-chloro-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-methylbenzenesulfonamide
CID 122295588
3-chloro-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]benzamide
CID 50944592
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]propane-1-sulfonamide
CID 121075570
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 122295571
3-chloro-N-[3-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 30132724
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide
CID 122295568
3-acetyl-N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]benzenesulfonamide
CID 122324729
N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 56698937
6-(dimethylamino)-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]naphthalene-2-sulfonamide
CID 138646923
3-[[6-(dimethylamino)-2-[2-(methanesulfonamido)ethylamino]pyrimidin-4-yl]amino]benzenesulfonic acid
CID 163626070
3-chloro-N-[2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide
CID 133335354
3-chloro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605915

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]benzenesulfonamide (CID 121075572) is 3-chloro-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]benzenesulfonamide is Cc1cc(N(C)C)nc(NCCNS(=O)(=O)c2cccc(Cl)c2)n1.
What is the InChIKey of 3-chloro-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]benzenesulfonamide?
The InChIKey is WXVLDEOWZYHSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5O2S/c1-11-9-14(21(2)3)20-15(19-11)17-7-8-18-24(22,23)13-6-4-5-12(16)10-13/h4-6,9-10,18H,7-8H2,1-3H3,(H,17,19,20).
What are the key properties of 3-chloro-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]benzenesulfonamide?
3-chloro-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]benzenesulfonamide has a molecular weight of 369.88 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 121075572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).