4-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-3-sulfonamide

C13H19N5O2S — CID 106106302

IUPAC4-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-3-sulfonamide
SMILESCCNc1ccncc1S(=O)(=O)NCCc1ccn(C)n1
InChIInChI=1S/C13H19N5O2S/c1-3-15-12-5-7-14-10-13(12)21(19,20)16-8-4-11-6-9-18(2)17-11/h5-7,9-10,16H,3-4,8H2,1-2H3,(H,14,15)
InChIKeyLEPDKEBLQRIHRR-UHFFFAOYSA-N
MW309.40 g/mol
LogP0.77
Rot. Bonds7

About 4-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-3-sulfonamide

4-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-3-sulfonamide (PubChem CID 106106302) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is 4-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name4-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-3-sulfonamide
PubChem CID106106302
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC Name4-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-3-sulfonamide
SMILESCCNc1ccncc1S(=O)(=O)NCCc1ccn(C)n1
InChIInChI=1S/C13H19N5O2S/c1-3-15-12-5-7-14-10-13(12)21(19,20)16-8-4-11-6-9-18(2)17-11/h5-7,9-10,16H,3-4,8H2,1-2H3,(H,14,15)
InChIKeyLEPDKEBLQRIHRR-UHFFFAOYSA-N
XLogP0.77
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(ethylamino)-N-[3-(methanesulfonamido)propyl]pyridine-3-sulfonamide
CID 106342226
2-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-4-sulfonamide
CID 106106320
N-[2-(1-methylpyrazol-3-yl)ethyl]ethanesulfonamide
CID 104626606
3-amino-2,4-difluoro-N-[2-(1-methylpyrazol-3-yl)ethyl]benzenesulfonamide
CID 106103901
4-(ethylamino)-N-(3-propoxypropyl)pyridine-3-sulfonamide
CID 82947585
4-(ethylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 114957452
2-ethylsulfonyl-N-[2-(1-methylpyrazol-3-yl)ethyl]aniline
CID 102846547
1-cyano-N-[2-(1-methylpyrazol-3-yl)ethyl]propane-1-sulfonamide
CID 104626600
5-(ethylaminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]furan-2-sulfonamide
CID 106106529
2-(ethylamino)-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 62147752
2-bromo-5-(hydroxymethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]thiophene-3-sulfonamide
CID 106106594
2-[2-(1-methylpyrazol-3-yl)ethylamino]benzenesulfonamide
CID 106105497

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 4-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-3-sulfonamide (CID 106106302) is 4-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 4-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 4-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-3-sulfonamide is CCNc1ccncc1S(=O)(=O)NCCc1ccn(C)n1.
What is the InChIKey of 4-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-3-sulfonamide?
The InChIKey is LEPDKEBLQRIHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-3-15-12-5-7-14-10-13(12)21(19,20)16-8-4-11-6-9-18(2)17-11/h5-7,9-10,16H,3-4,8H2,1-2H3,(H,14,15).
What are the key properties of 4-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-3-sulfonamide?
4-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-3-sulfonamide has a molecular weight of 309.40 g/mol, XLogP of 0.77, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 106106302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).