N-(3-tert-butyl-1-methylpyrazol-5-yl)naphthalene-1-sulfonamide

C18H21N3O2S — CID 5220322

IUPACN-(3-tert-butyl-1-methylpyrazol-5-yl)naphthalene-1-sulfonamide
SMILESCn1nc(C(C)(C)C)cc1NS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C18H21N3O2S/c1-18(2,3)16-12-17(21(4)19-16)20-24(22,23)15-11-7-9-13-8-5-6-10-14(13)15/h5-12,20H,1-4H3
InChIKeyMNGJUTKBMWZNBT-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.67
Rot. Bonds3

About N-(3-tert-butyl-1-methylpyrazol-5-yl)naphthalene-1-sulfonamide

N-(3-tert-butyl-1-methylpyrazol-5-yl)naphthalene-1-sulfonamide (PubChem CID 5220322) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-(3-tert-butyl-1-methylpyrazol-5-yl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-methylpyrazol-5-yl)naphthalene-1-sulfonamide
PubChem CID5220322
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-(3-tert-butyl-1-methylpyrazol-5-yl)naphthalene-1-sulfonamide
SMILESCn1nc(C(C)(C)C)cc1NS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C18H21N3O2S/c1-18(2,3)16-12-17(21(4)19-16)20-24(22,23)15-11-7-9-13-8-5-6-10-14(13)15/h5-12,20H,1-4H3
InChIKeyMNGJUTKBMWZNBT-UHFFFAOYSA-N
XLogP3.67
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-methylpyrazol-5-yl)naphthalene-1-sulfonamide?
The IUPAC name of N-(3-tert-butyl-1-methylpyrazol-5-yl)naphthalene-1-sulfonamide (CID 5220322) is N-(3-tert-butyl-1-methylpyrazol-5-yl)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(3-tert-butyl-1-methylpyrazol-5-yl)naphthalene-1-sulfonamide?
The canonical SMILES for N-(3-tert-butyl-1-methylpyrazol-5-yl)naphthalene-1-sulfonamide is Cn1nc(C(C)(C)C)cc1NS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-(3-tert-butyl-1-methylpyrazol-5-yl)naphthalene-1-sulfonamide?
The InChIKey is MNGJUTKBMWZNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-18(2,3)16-12-17(21(4)19-16)20-24(22,23)15-11-7-9-13-8-5-6-10-14(13)15/h5-12,20H,1-4H3.
What are the key properties of N-(3-tert-butyl-1-methylpyrazol-5-yl)naphthalene-1-sulfonamide?
N-(3-tert-butyl-1-methylpyrazol-5-yl)naphthalene-1-sulfonamide has a molecular weight of 343.45 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-methylpyrazol-5-yl)naphthalene-1-sulfonamide is sourced from PubChem (CID 5220322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).