N-[(1S)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-methylbenzenesulfonamide

C15H21N3O2S — CID 51391304

IUPACN-[(1S)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-methylbenzenesulfonamide
SMILESCCn1cc([C@H](C)NS(=O)(=O)c2ccc(C)cc2)c(C)n1
InChIInChI=1S/C15H21N3O2S/c1-5-18-10-15(12(3)16-18)13(4)17-21(19,20)14-8-6-11(2)7-9-14/h6-10,13,17H,5H2,1-4H3/t13-/m0/s1
InChIKeyFNHPJRLTMJUFDJ-ZDUSSCGKSA-N
MW307.42 g/mol
LogP2.56
Rot. Bonds5

About N-[(1S)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-methylbenzenesulfonamide

N-[(1S)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-methylbenzenesulfonamide (PubChem CID 51391304) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-[(1S)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-methylbenzenesulfonamide
PubChem CID51391304
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-[(1S)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-methylbenzenesulfonamide
SMILESCCn1cc([C@H](C)NS(=O)(=O)c2ccc(C)cc2)c(C)n1
InChIInChI=1S/C15H21N3O2S/c1-5-18-10-15(12(3)16-18)13(4)17-21(19,20)14-8-6-11(2)7-9-14/h6-10,13,17H,5H2,1-4H3/t13-/m0/s1
InChIKeyFNHPJRLTMJUFDJ-ZDUSSCGKSA-N
XLogP2.56
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 22208960
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 22208964
1-(1-ethyl-3-methylpyrazol-4-yl)-N-methylethanamine
CID 23005800
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-(2-methylpropyl)benzenesulfonamide
CID 22208862
N-(1-ethyl-3-methylpyrazol-4-yl)-4-propan-2-ylbenzenesulfonamide
CID 22209225
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-3-yl)methyl]ethanamine
CID 19625650
N-benzyl-1-(1-ethyl-3-methylpyrazol-4-yl)ethanamine
CID 19625231
4-chloro-N-[1-(1-ethylpyrazol-3-yl)ethyl]benzenesulfonamide
CID 19582261
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-nitrobenzenesulfonamide
CID 22208876
N-[(1S)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-naphthalen-2-ylsulfonylpropanamide
CID 51392312
4-methyl-N-[(2R,4R)-4-[(4-methylphenyl)sulfonylamino]pentan-2-yl]benzenesulfonamide
CID 73054079
4-ethoxy-N-(1-ethyl-3-methylpyrazol-4-yl)benzenesulfonamide
CID 22209222

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(1S)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-methylbenzenesulfonamide (CID 51391304) is N-[(1S)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(1S)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(1S)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-methylbenzenesulfonamide is CCn1cc([C@H](C)NS(=O)(=O)c2ccc(C)cc2)c(C)n1.
What is the InChIKey of N-[(1S)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-methylbenzenesulfonamide?
The InChIKey is FNHPJRLTMJUFDJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-5-18-10-15(12(3)16-18)13(4)17-21(19,20)14-8-6-11(2)7-9-14/h6-10,13,17H,5H2,1-4H3/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-methylbenzenesulfonamide?
N-[(1S)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-methylbenzenesulfonamide has a molecular weight of 307.42 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 51391304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).