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

C12H15N3O2S — CID 47235671

IUPACN-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
SMILESCn1cc(CCNS(=O)(=O)c2ccccc2)cn1
InChIInChI=1S/C12H15N3O2S/c1-15-10-11(9-13-15)7-8-14-18(16,17)12-5-3-2-4-6-12/h2-6,9-10,14H,7-8H2,1H3
InChIKeySKFHMAJCVLWAOI-UHFFFAOYSA-N
MW265.34 g/mol
LogP0.94
Rot. Bonds5

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

N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide (PubChem CID 47235671) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
PubChem CID47235671
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC NameN-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
SMILESCn1cc(CCNS(=O)(=O)c2ccccc2)cn1
InChIInChI=1S/C12H15N3O2S/c1-15-10-11(9-13-15)7-8-14-18(16,17)12-5-3-2-4-6-12/h2-6,9-10,14H,7-8H2,1H3
InChIKeySKFHMAJCVLWAOI-UHFFFAOYSA-N
XLogP0.94
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 80689629
3-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 80681451
4-(ethylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 80685575
N-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 47298388
4-bromo-3-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 103697397
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
N-[2-(furan-3-yl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 71807049
3-bromo-N-[2-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 113225806
2,4-dibromo-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 47305787
5-(methylaminomethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]-1H-pyrrole-3-sulfonamide
CID 106073600
2-bromo-4-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 47235685

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide (CID 47235671) is N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide is Cn1cc(CCNS(=O)(=O)c2ccccc2)cn1.
What is the InChIKey of N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide?
The InChIKey is SKFHMAJCVLWAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-15-10-11(9-13-15)7-8-14-18(16,17)12-5-3-2-4-6-12/h2-6,9-10,14H,7-8H2,1H3.
What are the key properties of N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide?
N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide has a molecular weight of 265.34 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 47235671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).