N-benzyl-N-[(1-ethylpyrazol-4-yl)methyl]naphthalene-2-sulfonamide

C23H23N3O2S — CID 44822203

IUPACN-benzyl-N-[(1-ethylpyrazol-4-yl)methyl]naphthalene-2-sulfonamide
SMILESCCn1cc(CN(Cc2ccccc2)S(=O)(=O)c2ccc3ccccc3c2)cn1
InChIInChI=1S/C23H23N3O2S/c1-2-25-16-20(15-24-25)18-26(17-19-8-4-3-5-9-19)29(27,28)23-13-12-21-10-6-7-11-22(21)14-23/h3-16H,2,17-18H2,1H3
InChIKeyPKTBZIYVRGWTNI-UHFFFAOYSA-N
MW405.52 g/mol
LogP4.45
Rot. Bonds7

About N-benzyl-N-[(1-ethylpyrazol-4-yl)methyl]naphthalene-2-sulfonamide

N-benzyl-N-[(1-ethylpyrazol-4-yl)methyl]naphthalene-2-sulfonamide (PubChem CID 44822203) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-benzyl-N-[(1-ethylpyrazol-4-yl)methyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-benzyl-N-[(1-ethylpyrazol-4-yl)methyl]naphthalene-2-sulfonamide
PubChem CID44822203
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC NameN-benzyl-N-[(1-ethylpyrazol-4-yl)methyl]naphthalene-2-sulfonamide
SMILESCCn1cc(CN(Cc2ccccc2)S(=O)(=O)c2ccc3ccccc3c2)cn1
InChIInChI=1S/C23H23N3O2S/c1-2-25-16-20(15-24-25)18-26(17-19-8-4-3-5-9-19)29(27,28)23-13-12-21-10-6-7-11-22(21)14-23/h3-16H,2,17-18H2,1H3
InChIKeyPKTBZIYVRGWTNI-UHFFFAOYSA-N
XLogP4.45
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(Pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 127025293
Hsp90-IN-27
CID 842058
N-[(4-chloro-1-ethyl-1H-pyrazol-5-yl)methyl]-N-methylnaphthalene-2-sulfonamide
CID 29089514
4-[4-(1-Methyl-1H-pyrazol-4-yl)-phenyl]-isoquinoline-6-sulfonic acid amide
CID 118660675
2-(1-ethylpyrazol-4-yl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 6468426
N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-methyl-2-naphthalenesulfonamide
CID 1231757
N-[(4-Chloro-1-methyl-1H-pyrazol-5-YL)methyl]-N-methyl-2-naphthalenesulfonamide
CID 29089515
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N,3,4-trimethylbenzenesulfonamide
CID 3277554
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-methyl-4-(propan-2-yl)benzenesulfonamide
CID 22204129
4-fluoro-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 17512561
3-(1-benzylpyrazol-4-yl)-N-phenylbenzenesulfonamide
CID 44607342
3-methyl-1-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]-3-phenylpiperidine
CID 72887179

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(1-ethylpyrazol-4-yl)methyl]naphthalene-2-sulfonamide?
The IUPAC name of N-benzyl-N-[(1-ethylpyrazol-4-yl)methyl]naphthalene-2-sulfonamide (CID 44822203) is N-benzyl-N-[(1-ethylpyrazol-4-yl)methyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-benzyl-N-[(1-ethylpyrazol-4-yl)methyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-benzyl-N-[(1-ethylpyrazol-4-yl)methyl]naphthalene-2-sulfonamide is CCn1cc(CN(Cc2ccccc2)S(=O)(=O)c2ccc3ccccc3c2)cn1.
What is the InChIKey of N-benzyl-N-[(1-ethylpyrazol-4-yl)methyl]naphthalene-2-sulfonamide?
The InChIKey is PKTBZIYVRGWTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S/c1-2-25-16-20(15-24-25)18-26(17-19-8-4-3-5-9-19)29(27,28)23-13-12-21-10-6-7-11-22(21)14-23/h3-16H,2,17-18H2,1H3.
What are the key properties of N-benzyl-N-[(1-ethylpyrazol-4-yl)methyl]naphthalene-2-sulfonamide?
N-benzyl-N-[(1-ethylpyrazol-4-yl)methyl]naphthalene-2-sulfonamide has a molecular weight of 405.52 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(1-ethylpyrazol-4-yl)methyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 44822203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).