5-(dimethylamino)-N-[4-(thiadiazol-4-yl)phenyl]naphthalene-1-sulfonamide

C20H18N4O2S2 — CID 3271732

IUPAC5-(dimethylamino)-N-[4-(thiadiazol-4-yl)phenyl]naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)Nc3ccc(-c4csnn4)cc3)cccc12
InChIInChI=1S/C20H18N4O2S2/c1-24(2)19-7-3-6-17-16(19)5-4-8-20(17)28(25,26)22-15-11-9-14(10-12-15)18-13-27-23-21-18/h3-13,22H,1-2H3
InChIKeyNTRHAAPFAXYQAG-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.23
Rot. Bonds5

About 5-(dimethylamino)-N-[4-(thiadiazol-4-yl)phenyl]naphthalene-1-sulfonamide

5-(dimethylamino)-N-[4-(thiadiazol-4-yl)phenyl]naphthalene-1-sulfonamide (PubChem CID 3271732) has the molecular formula C20H18N4O2S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 5-(dimethylamino)-N-[4-(thiadiazol-4-yl)phenyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound Name5-(dimethylamino)-N-[4-(thiadiazol-4-yl)phenyl]naphthalene-1-sulfonamide
PubChem CID3271732
Molecular FormulaC20H18N4O2S2
Molecular Weight410.52 g/mol
Exact Mass410.09
IUPAC Name5-(dimethylamino)-N-[4-(thiadiazol-4-yl)phenyl]naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)Nc3ccc(-c4csnn4)cc3)cccc12
InChIInChI=1S/C20H18N4O2S2/c1-24(2)19-7-3-6-17-16(19)5-4-8-20(17)28(25,26)22-15-11-9-14(10-12-15)18-13-27-23-21-18/h3-13,22H,1-2H3
InChIKeyNTRHAAPFAXYQAG-UHFFFAOYSA-N
XLogP4.23
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-N-[4-(thiadiazol-4-yl)phenyl]naphthalene-1-sulfonamide?
The IUPAC name of 5-(dimethylamino)-N-[4-(thiadiazol-4-yl)phenyl]naphthalene-1-sulfonamide (CID 3271732) is 5-(dimethylamino)-N-[4-(thiadiazol-4-yl)phenyl]naphthalene-1-sulfonamide.
What is the SMILES notation for 5-(dimethylamino)-N-[4-(thiadiazol-4-yl)phenyl]naphthalene-1-sulfonamide?
The canonical SMILES for 5-(dimethylamino)-N-[4-(thiadiazol-4-yl)phenyl]naphthalene-1-sulfonamide is CN(C)c1cccc2c(S(=O)(=O)Nc3ccc(-c4csnn4)cc3)cccc12.
What is the InChIKey of 5-(dimethylamino)-N-[4-(thiadiazol-4-yl)phenyl]naphthalene-1-sulfonamide?
The InChIKey is NTRHAAPFAXYQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S2/c1-24(2)19-7-3-6-17-16(19)5-4-8-20(17)28(25,26)22-15-11-9-14(10-12-15)18-13-27-23-21-18/h3-13,22H,1-2H3.
What are the key properties of 5-(dimethylamino)-N-[4-(thiadiazol-4-yl)phenyl]naphthalene-1-sulfonamide?
5-(dimethylamino)-N-[4-(thiadiazol-4-yl)phenyl]naphthalene-1-sulfonamide has a molecular weight of 410.52 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-N-[4-(thiadiazol-4-yl)phenyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 3271732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).