5-(dimethylamino)-N-(1H-indazol-6-yl)naphthalene-1-sulfonamide

C19H18N4O2S — CID 3011184

IUPAC5-(dimethylamino)-N-(1H-indazol-6-yl)naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)Nc3ccc4cn[nH]c4c3)cccc12
InChIInChI=1S/C19H18N4O2S/c1-23(2)18-7-3-6-16-15(18)5-4-8-19(16)26(24,25)22-14-10-9-13-12-20-21-17(13)11-14/h3-12,22H,1-2H3,(H,20,21)
InChIKeyXTRGAMHQUWDIHG-UHFFFAOYSA-N
MW366.45 g/mol
LogP3.58
Rot. Bonds4

About 5-(dimethylamino)-N-(1H-indazol-6-yl)naphthalene-1-sulfonamide

5-(dimethylamino)-N-(1H-indazol-6-yl)naphthalene-1-sulfonamide (PubChem CID 3011184) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is 5-(dimethylamino)-N-(1H-indazol-6-yl)naphthalene-1-sulfonamide.

Molecular Properties

Compound Name5-(dimethylamino)-N-(1H-indazol-6-yl)naphthalene-1-sulfonamide
PubChem CID3011184
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC Name5-(dimethylamino)-N-(1H-indazol-6-yl)naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)Nc3ccc4cn[nH]c4c3)cccc12
InChIInChI=1S/C19H18N4O2S/c1-23(2)18-7-3-6-16-15(18)5-4-8-19(16)26(24,25)22-14-10-9-13-12-20-21-17(13)11-14/h3-12,22H,1-2H3,(H,20,21)
InChIKeyXTRGAMHQUWDIHG-UHFFFAOYSA-N
XLogP3.58
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-N-(1H-indazol-6-yl)naphthalene-1-sulfonamide?
The IUPAC name of 5-(dimethylamino)-N-(1H-indazol-6-yl)naphthalene-1-sulfonamide (CID 3011184) is 5-(dimethylamino)-N-(1H-indazol-6-yl)naphthalene-1-sulfonamide.
What is the SMILES notation for 5-(dimethylamino)-N-(1H-indazol-6-yl)naphthalene-1-sulfonamide?
The canonical SMILES for 5-(dimethylamino)-N-(1H-indazol-6-yl)naphthalene-1-sulfonamide is CN(C)c1cccc2c(S(=O)(=O)Nc3ccc4cn[nH]c4c3)cccc12.
What is the InChIKey of 5-(dimethylamino)-N-(1H-indazol-6-yl)naphthalene-1-sulfonamide?
The InChIKey is XTRGAMHQUWDIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-23(2)18-7-3-6-16-15(18)5-4-8-19(16)26(24,25)22-14-10-9-13-12-20-21-17(13)11-14/h3-12,22H,1-2H3,(H,20,21).
What are the key properties of 5-(dimethylamino)-N-(1H-indazol-6-yl)naphthalene-1-sulfonamide?
5-(dimethylamino)-N-(1H-indazol-6-yl)naphthalene-1-sulfonamide has a molecular weight of 366.45 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-N-(1H-indazol-6-yl)naphthalene-1-sulfonamide is sourced from PubChem (CID 3011184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).