N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide

C16H14N2O4S3 — CID 2815406

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)s2)cs1
InChIInChI=1S/C16H14N2O4S3/c1-10-17-12(9-23-10)15-4-5-16(24-15)25(19,20)18-11-2-3-13-14(8-11)22-7-6-21-13/h2-5,8-9,18H,6-7H2,1H3
InChIKeyDHFBYYWBYDZNFB-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.75
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide (PubChem CID 2815406) has the molecular formula C16H14N2O4S3 and a molecular weight of 394.50 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide
PubChem CID2815406
Molecular FormulaC16H14N2O4S3
Molecular Weight394.50 g/mol
Exact Mass394.01
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)s2)cs1
InChIInChI=1S/C16H14N2O4S3/c1-10-17-12(9-23-10)15-4-5-16(24-15)25(19,20)18-11-2-3-13-14(8-11)22-7-6-21-13/h2-5,8-9,18H,6-7H2,1H3
InChIKeyDHFBYYWBYDZNFB-UHFFFAOYSA-N
XLogP3.75
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide (CID 2815406) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide is Cc1nc(-c2ccc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)s2)cs1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide?
The InChIKey is DHFBYYWBYDZNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S3/c1-10-17-12(9-23-10)15-4-5-16(24-15)25(19,20)18-11-2-3-13-14(8-11)22-7-6-21-13/h2-5,8-9,18H,6-7H2,1H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide has a molecular weight of 394.50 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 2815406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).