N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylnaphthalene-2-sulfonamide

C17H18ClN3O2S — CID 29089514

IUPACN-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylnaphthalene-2-sulfonamide
SMILESCCn1ncc(Cl)c1CN(C)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H18ClN3O2S/c1-3-21-17(16(18)11-19-21)12-20(2)24(22,23)15-9-8-13-6-4-5-7-14(13)10-15/h4-11H,3,12H2,1-2H3
InChIKeyDIBOPUAGRYIECE-UHFFFAOYSA-N
MW363.87 g/mol
LogP3.53
Rot. Bonds5

About N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylnaphthalene-2-sulfonamide

N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylnaphthalene-2-sulfonamide (PubChem CID 29089514) has the molecular formula C17H18ClN3O2S and a molecular weight of 363.87 g/mol. Its IUPAC name is N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylnaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylnaphthalene-2-sulfonamide
PubChem CID29089514
Molecular FormulaC17H18ClN3O2S
Molecular Weight363.87 g/mol
Exact Mass363.08
IUPAC NameN-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylnaphthalene-2-sulfonamide
SMILESCCn1ncc(Cl)c1CN(C)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H18ClN3O2S/c1-3-21-17(16(18)11-19-21)12-20(2)24(22,23)15-9-8-13-6-4-5-7-14(13)10-15/h4-11H,3,12H2,1-2H3
InChIKeyDIBOPUAGRYIECE-UHFFFAOYSA-N
XLogP3.53
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylnaphthalene-2-sulfonamide?
The IUPAC name of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylnaphthalene-2-sulfonamide (CID 29089514) is N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylnaphthalene-2-sulfonamide.
What is the SMILES notation for N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylnaphthalene-2-sulfonamide?
The canonical SMILES for N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylnaphthalene-2-sulfonamide is CCn1ncc(Cl)c1CN(C)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylnaphthalene-2-sulfonamide?
The InChIKey is DIBOPUAGRYIECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2S/c1-3-21-17(16(18)11-19-21)12-20(2)24(22,23)15-9-8-13-6-4-5-7-14(13)10-15/h4-11H,3,12H2,1-2H3.
What are the key properties of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylnaphthalene-2-sulfonamide?
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylnaphthalene-2-sulfonamide has a molecular weight of 363.87 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylnaphthalene-2-sulfonamide is sourced from PubChem (CID 29089514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).