5-(dimethylamino)-N-(4-methyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide

C16H17N3O3S — CID 10404449

IUPAC5-(dimethylamino)-N-(4-methyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide
SMILESCc1cnoc1NS(=O)(=O)c1cccc2c(N(C)C)cccc12
InChIInChI=1S/C16H17N3O3S/c1-11-10-17-22-16(11)18-23(20,21)15-9-5-6-12-13(15)7-4-8-14(12)19(2)3/h4-10,18H,1-3H3
InChIKeyHKRNQROOSNFGFI-UHFFFAOYSA-N
MW331.40 g/mol
LogP3.00
Rot. Bonds4

About 5-(dimethylamino)-N-(4-methyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide

5-(dimethylamino)-N-(4-methyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide (PubChem CID 10404449) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is 5-(dimethylamino)-N-(4-methyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide.

Molecular Properties

Compound Name5-(dimethylamino)-N-(4-methyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide
PubChem CID10404449
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name5-(dimethylamino)-N-(4-methyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide
SMILESCc1cnoc1NS(=O)(=O)c1cccc2c(N(C)C)cccc12
InChIInChI=1S/C16H17N3O3S/c1-11-10-17-22-16(11)18-23(20,21)15-9-5-6-12-13(15)7-4-8-14(12)19(2)3/h4-10,18H,1-3H3
InChIKeyHKRNQROOSNFGFI-UHFFFAOYSA-N
XLogP3.00
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-N-(4-methyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide?
The IUPAC name of 5-(dimethylamino)-N-(4-methyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide (CID 10404449) is 5-(dimethylamino)-N-(4-methyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide.
What is the SMILES notation for 5-(dimethylamino)-N-(4-methyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide?
The canonical SMILES for 5-(dimethylamino)-N-(4-methyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide is Cc1cnoc1NS(=O)(=O)c1cccc2c(N(C)C)cccc12.
What is the InChIKey of 5-(dimethylamino)-N-(4-methyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide?
The InChIKey is HKRNQROOSNFGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-11-10-17-22-16(11)18-23(20,21)15-9-5-6-12-13(15)7-4-8-14(12)19(2)3/h4-10,18H,1-3H3.
What are the key properties of 5-(dimethylamino)-N-(4-methyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide?
5-(dimethylamino)-N-(4-methyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide has a molecular weight of 331.40 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-N-(4-methyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide is sourced from PubChem (CID 10404449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).