4-(ethylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide

C14H20N4O2S — CID 80685575

IUPAC4-(ethylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)NCCc2cnn(C)c2)cc1
InChIInChI=1S/C14H20N4O2S/c1-3-15-13-4-6-14(7-5-13)21(19,20)17-9-8-12-10-16-18(2)11-12/h4-7,10-11,15,17H,3,8-9H2,1-2H3
InChIKeyNBKZKCCZIVMVSZ-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.37
Rot. Bonds7

About 4-(ethylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide

4-(ethylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide (PubChem CID 80685575) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 4-(ethylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(ethylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
PubChem CID80685575
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name4-(ethylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)NCCc2cnn(C)c2)cc1
InChIInChI=1S/C14H20N4O2S/c1-3-15-13-4-6-14(7-5-13)21(19,20)17-9-8-12-10-16-18(2)11-12/h4-7,10-11,15,17H,3,8-9H2,1-2H3
InChIKeyNBKZKCCZIVMVSZ-UHFFFAOYSA-N
XLogP1.37
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 80689629
N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 47235671
4-bromo-3-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 103697397
3-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 80681451
4-(ethylamino)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 62641660
2,4-dibromo-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 47305787
2-bromo-4-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 47235685
4-(aminomethyl)-2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 106997056
5-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 106268698
2-(aminomethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-sulfonamide
CID 106594742
4-(2-chloroethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 61348717
N-[2-(furan-3-yl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 71807049

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-(ethylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide (CID 80685575) is 4-(ethylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-(ethylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-(ethylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide is CCNc1ccc(S(=O)(=O)NCCc2cnn(C)c2)cc1.
What is the InChIKey of 4-(ethylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide?
The InChIKey is NBKZKCCZIVMVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-3-15-13-4-6-14(7-5-13)21(19,20)17-9-8-12-10-16-18(2)11-12/h4-7,10-11,15,17H,3,8-9H2,1-2H3.
What are the key properties of 4-(ethylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide?
4-(ethylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide has a molecular weight of 308.41 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 80685575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).