N-[6-(butan-2-ylamino)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C17H21N3O4S — CID 113009808

IUPACN-[6-(butan-2-ylamino)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCCC(C)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cn1
InChIInChI=1S/C17H21N3O4S/c1-3-12(2)19-17-7-4-13(11-18-17)20-25(21,22)14-5-6-15-16(10-14)24-9-8-23-15/h4-7,10-12,20H,3,8-9H2,1-2H3,(H,18,19)
InChIKeyVMZKVKONPCLPHE-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.86
Rot. Bonds6

About N-[6-(butan-2-ylamino)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-[6-(butan-2-ylamino)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 113009808) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-[6-(butan-2-ylamino)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-[6-(butan-2-ylamino)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID113009808
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC NameN-[6-(butan-2-ylamino)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCCC(C)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cn1
InChIInChI=1S/C17H21N3O4S/c1-3-12(2)19-17-7-4-13(11-18-17)20-25(21,22)14-5-6-15-16(10-14)24-9-8-23-15/h4-7,10-12,20H,3,8-9H2,1-2H3,(H,18,19)
InChIKeyVMZKVKONPCLPHE-UHFFFAOYSA-N
XLogP2.86
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(butylamino)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 113009544
N-[5-(propylamino)-2-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 113023518
N-[6-(butan-2-ylamino)-3-pyridinyl]-4-ethylbenzenesulfonamide
CID 113009794
N-[4-[(2S)-butan-2-yl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 7940763
N-[6-(propylamino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide
CID 113009130
N-(6-amino-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 60791769
N-[2-(dimethylamino)pyrimidin-5-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 71790233
N-(4-propan-2-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2273106
N-[5-(butan-2-ylamino)-2-pyridinyl]-4-tert-butylbenzenesulfonamide
CID 113024340
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 91968299
N-[6-(cyclopentylamino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide
CID 113009951
N-[6-(butan-2-ylamino)-3-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113009793

Frequently Asked Questions

What is the IUPAC name of N-[6-(butan-2-ylamino)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-[6-(butan-2-ylamino)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 113009808) is N-[6-(butan-2-ylamino)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-[6-(butan-2-ylamino)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-[6-(butan-2-ylamino)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is CCC(C)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cn1.
What is the InChIKey of N-[6-(butan-2-ylamino)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is VMZKVKONPCLPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-3-12(2)19-17-7-4-13(11-18-17)20-25(21,22)14-5-6-15-16(10-14)24-9-8-23-15/h4-7,10-12,20H,3,8-9H2,1-2H3,(H,18,19).
What are the key properties of N-[6-(butan-2-ylamino)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-[6-(butan-2-ylamino)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 363.44 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(butan-2-ylamino)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 113009808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).