3-[1-(ethylamino)ethyl]-N-pyrimidin-5-ylbenzenesulfonamide

C14H18N4O2S — CID 107588979

IUPAC3-[1-(ethylamino)ethyl]-N-pyrimidin-5-ylbenzenesulfonamide
SMILESCCNC(C)c1cccc(S(=O)(=O)Nc2cncnc2)c1
InChIInChI=1S/C14H18N4O2S/c1-3-17-11(2)12-5-4-6-14(7-12)21(19,20)18-13-8-15-10-16-9-13/h4-11,17-18H,3H2,1-2H3
InChIKeyRPTQUTYPCNSMAQ-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.95
Rot. Bonds6

About 3-[1-(ethylamino)ethyl]-N-pyrimidin-5-ylbenzenesulfonamide

3-[1-(ethylamino)ethyl]-N-pyrimidin-5-ylbenzenesulfonamide (PubChem CID 107588979) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3-[1-(ethylamino)ethyl]-N-pyrimidin-5-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-[1-(ethylamino)ethyl]-N-pyrimidin-5-ylbenzenesulfonamide
PubChem CID107588979
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name3-[1-(ethylamino)ethyl]-N-pyrimidin-5-ylbenzenesulfonamide
SMILESCCNC(C)c1cccc(S(=O)(=O)Nc2cncnc2)c1
InChIInChI=1S/C14H18N4O2S/c1-3-17-11(2)12-5-4-6-14(7-12)21(19,20)18-13-8-15-10-16-9-13/h4-11,17-18H,3H2,1-2H3
InChIKeyRPTQUTYPCNSMAQ-UHFFFAOYSA-N
XLogP1.95
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(ethylamino)ethyl]-N-phenylbenzenesulfonamide
CID 43506659
3-(1-aminopropyl)-N-pyrimidin-5-ylbenzenesulfonamide
CID 107588975
N-[3-[1-(ethylamino)ethyl]phenyl]-1-methylpyrazole-4-sulfonamide
CID 62063494
N-(3,3-dimethylbutan-2-yl)-3-[1-(ethylamino)ethyl]benzenesulfonamide
CID 104828856
N-(2,2-dimethylpropyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide
CID 61167664
N-propan-2-yl-3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506700
N-(cyclopentylmethyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide
CID 43507135
3-hydroxy-N-pyrimidin-5-ylbenzenesulfonamide
CID 107589119
3-bromo-N-pyrimidin-5-ylbenzenesulfonamide
CID 104856633
3-[1-(ethylamino)ethyl]-N-(2-methylcyclopropyl)benzenesulfonamide
CID 62408236
N-methyl-3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506750
N-(3-ethoxypropyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide
CID 43506942

Frequently Asked Questions

What is the IUPAC name of 3-[1-(ethylamino)ethyl]-N-pyrimidin-5-ylbenzenesulfonamide?
The IUPAC name of 3-[1-(ethylamino)ethyl]-N-pyrimidin-5-ylbenzenesulfonamide (CID 107588979) is 3-[1-(ethylamino)ethyl]-N-pyrimidin-5-ylbenzenesulfonamide.
What is the SMILES notation for 3-[1-(ethylamino)ethyl]-N-pyrimidin-5-ylbenzenesulfonamide?
The canonical SMILES for 3-[1-(ethylamino)ethyl]-N-pyrimidin-5-ylbenzenesulfonamide is CCNC(C)c1cccc(S(=O)(=O)Nc2cncnc2)c1.
What is the InChIKey of 3-[1-(ethylamino)ethyl]-N-pyrimidin-5-ylbenzenesulfonamide?
The InChIKey is RPTQUTYPCNSMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-3-17-11(2)12-5-4-6-14(7-12)21(19,20)18-13-8-15-10-16-9-13/h4-11,17-18H,3H2,1-2H3.
What are the key properties of 3-[1-(ethylamino)ethyl]-N-pyrimidin-5-ylbenzenesulfonamide?
3-[1-(ethylamino)ethyl]-N-pyrimidin-5-ylbenzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(ethylamino)ethyl]-N-pyrimidin-5-ylbenzenesulfonamide is sourced from PubChem (CID 107588979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).