3-(dimethylamino)-N,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide

C14H19N3O2S2 — CID 71969803

IUPAC3-(dimethylamino)-N,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)Cc2nccs2)cc1N(C)C
InChIInChI=1S/C14H19N3O2S2/c1-11-5-6-12(9-13(11)16(2)3)21(18,19)17(4)10-14-15-7-8-20-14/h5-9H,10H2,1-4H3
InChIKeySIAQRLFPLIXZRH-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.34
Rot. Bonds5

About 3-(dimethylamino)-N,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide

3-(dimethylamino)-N,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide (PubChem CID 71969803) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 3-(dimethylamino)-N,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(dimethylamino)-N,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
PubChem CID71969803
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC Name3-(dimethylamino)-N,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)Cc2nccs2)cc1N(C)C
InChIInChI=1S/C14H19N3O2S2/c1-11-5-6-12(9-13(11)16(2)3)21(18,19)17(4)10-14-15-7-8-20-14/h5-9H,10H2,1-4H3
InChIKeySIAQRLFPLIXZRH-UHFFFAOYSA-N
XLogP2.34
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-(dimethylamino)-N,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide (CID 71969803) is 3-(dimethylamino)-N,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-(dimethylamino)-N,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-(dimethylamino)-N,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)Cc2nccs2)cc1N(C)C.
What is the InChIKey of 3-(dimethylamino)-N,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
The InChIKey is SIAQRLFPLIXZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-11-5-6-12(9-13(11)16(2)3)21(18,19)17(4)10-14-15-7-8-20-14/h5-9H,10H2,1-4H3.
What are the key properties of 3-(dimethylamino)-N,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
3-(dimethylamino)-N,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide has a molecular weight of 325.46 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 71969803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).