N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylbenzenesulfonamide

C15H15NO4S — CID 732537

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C15H15NO4S/c1-11-2-5-13(6-3-11)21(17,18)16-12-4-7-14-15(10-12)20-9-8-19-14/h2-7,10,16H,8-9H2,1H3
InChIKeyPFBACOPKKGFQDF-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.57
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylbenzenesulfonamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylbenzenesulfonamide (PubChem CID 732537) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylbenzenesulfonamide
PubChem CID732537
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C15H15NO4S/c1-11-2-5-13(6-3-11)21(17,18)16-12-4-7-14-15(10-12)20-9-8-19-14/h2-7,10,16H,8-9H2,1H3
InChIKeyPFBACOPKKGFQDF-UHFFFAOYSA-N
XLogP2.57
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 284083
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CID 698008
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CID 852233
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CID 861493
CID 861493
CID 1129998
CID 1129998
CID 2376193
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CID 3699118
CID 3699118
CID 11036226
CID 11036226
CID 15489351
CID 15489351
CID 2219508
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CID 702132
CID 702132
CID 852232
CID 852232

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylbenzenesulfonamide (CID 732537) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylbenzenesulfonamide?
The InChIKey is PFBACOPKKGFQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-11-2-5-13(6-3-11)21(17,18)16-12-4-7-14-15(10-12)20-9-8-19-14/h2-7,10,16H,8-9H2,1H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylbenzenesulfonamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylbenzenesulfonamide has a molecular weight of 305.36 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 732537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).