5-(dimethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)naphthalene-1-sulfonamide

C18H22N4O2S — CID 3858380

IUPAC5-(dimethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)naphthalene-1-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1cccc2c(N(C)C)cccc12
InChIInChI=1S/C18H22N4O2S/c1-12-18(13(2)22(5)19-12)20-25(23,24)17-11-7-8-14-15(17)9-6-10-16(14)21(3)4/h6-11,20H,1-5H3
InChIKeySGBAERSYSJLYEW-UHFFFAOYSA-N
MW358.47 g/mol
LogP3.06
Rot. Bonds4

About 5-(dimethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)naphthalene-1-sulfonamide

5-(dimethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)naphthalene-1-sulfonamide (PubChem CID 3858380) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is 5-(dimethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)naphthalene-1-sulfonamide.

Molecular Properties

Compound Name5-(dimethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)naphthalene-1-sulfonamide
PubChem CID3858380
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name5-(dimethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)naphthalene-1-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1cccc2c(N(C)C)cccc12
InChIInChI=1S/C18H22N4O2S/c1-12-18(13(2)22(5)19-12)20-25(23,24)17-11-7-8-14-15(17)9-6-10-16(14)21(3)4/h6-11,20H,1-5H3
InChIKeySGBAERSYSJLYEW-UHFFFAOYSA-N
XLogP3.06
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Hsp90-IN-27
CID 842058
3,4-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 8124894
N-[1-(3,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazol-4-yl]benzenesulfonamide
CID 1298622
N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]naphthalene-1-sulfonamide
CID 118512815
US9156811, Ddd99824
CID 46179208
US9156811, Ddd99822
CID 46179307
US9156811, Ddd100979
CID 58561077
US9156811, Ddd87759
CID 58561157
US9156811, Ddd100862
CID 58561167
US9156811, Ddd100885
CID 58561179
US9156811, Ddd88560
CID 58561234
US9156811, Ddd100865
CID 58561261

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)naphthalene-1-sulfonamide?
The IUPAC name of 5-(dimethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)naphthalene-1-sulfonamide (CID 3858380) is 5-(dimethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)naphthalene-1-sulfonamide.
What is the SMILES notation for 5-(dimethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)naphthalene-1-sulfonamide?
The canonical SMILES for 5-(dimethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)naphthalene-1-sulfonamide is Cc1nn(C)c(C)c1NS(=O)(=O)c1cccc2c(N(C)C)cccc12.
What is the InChIKey of 5-(dimethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)naphthalene-1-sulfonamide?
The InChIKey is SGBAERSYSJLYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-12-18(13(2)22(5)19-12)20-25(23,24)17-11-7-8-14-15(17)9-6-10-16(14)21(3)4/h6-11,20H,1-5H3.
What are the key properties of 5-(dimethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)naphthalene-1-sulfonamide?
5-(dimethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)naphthalene-1-sulfonamide has a molecular weight of 358.47 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)naphthalene-1-sulfonamide is sourced from PubChem (CID 3858380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).