N-[4-(cyclopropylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C17H18N2O4S — CID 112980041

IUPACN-[4-(cyclopropylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=S(=O)(Nc1ccc(NC2CC2)cc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H18N2O4S/c20-24(21,15-7-8-16-17(11-15)23-10-9-22-16)19-14-5-3-13(4-6-14)18-12-1-2-12/h3-8,11-12,18-19H,1-2,9-10H2
InChIKeyYCSBKMNFZPESEY-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.83
Rot. Bonds5

About N-[4-(cyclopropylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-[4-(cyclopropylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 112980041) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[4-(cyclopropylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-[4-(cyclopropylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID112980041
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC NameN-[4-(cyclopropylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=S(=O)(Nc1ccc(NC2CC2)cc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H18N2O4S/c20-24(21,15-7-8-16-17(11-15)23-10-9-22-16)19-14-5-3-13(4-6-14)18-12-1-2-12/h3-8,11-12,18-19H,1-2,9-10H2
InChIKeyYCSBKMNFZPESEY-UHFFFAOYSA-N
XLogP2.83
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(cycloheptylamino)phenyl]-1,3-benzodioxole-5-sulfonamide
CID 112985026
N-(4-iodophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1102354
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1334565
N-[4-(cyclopropanecarbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110604226
N-(4-cyclopentyloxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 35548290
N-(4-propan-2-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2273106
N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]oxane-4-carboxamide
CID 55376695
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-benzodioxole-5-sulfonamide
CID 110776722
N-[4-(dimethylaminocarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 9163812
N-naphthalen-2-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 846619
N-[4-[(2S)-butan-2-yl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 7940763
N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]cyclopentanecarboxamide
CID 9330132

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-[4-(cyclopropylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 112980041) is N-[4-(cyclopropylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-[4-(cyclopropylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-[4-(cyclopropylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is O=S(=O)(Nc1ccc(NC2CC2)cc1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[4-(cyclopropylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is YCSBKMNFZPESEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c20-24(21,15-7-8-16-17(11-15)23-10-9-22-16)19-14-5-3-13(4-6-14)18-12-1-2-12/h3-8,11-12,18-19H,1-2,9-10H2.
What are the key properties of N-[4-(cyclopropylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-[4-(cyclopropylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 346.41 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 112980041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).