4-amino-N-pyridin-3-yl-3,4-dihydro-2H-chromene-6-sulfonamide

C14H15N3O3S — CID 82166580

IUPAC4-amino-N-pyridin-3-yl-3,4-dihydro-2H-chromene-6-sulfonamide
SMILESNC1CCOc2ccc(S(=O)(=O)Nc3cccnc3)cc21
InChIInChI=1S/C14H15N3O3S/c15-13-5-7-20-14-4-3-11(8-12(13)14)21(18,19)17-10-2-1-6-16-9-10/h1-4,6,8-9,13,17H,5,7,15H2
InChIKeyHVBRMIBCMPQYOY-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.66
Rot. Bonds3

About 4-amino-N-pyridin-3-yl-3,4-dihydro-2H-chromene-6-sulfonamide

4-amino-N-pyridin-3-yl-3,4-dihydro-2H-chromene-6-sulfonamide (PubChem CID 82166580) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 4-amino-N-pyridin-3-yl-3,4-dihydro-2H-chromene-6-sulfonamide.

Molecular Properties

Compound Name4-amino-N-pyridin-3-yl-3,4-dihydro-2H-chromene-6-sulfonamide
PubChem CID82166580
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name4-amino-N-pyridin-3-yl-3,4-dihydro-2H-chromene-6-sulfonamide
SMILESNC1CCOc2ccc(S(=O)(=O)Nc3cccnc3)cc21
InChIInChI=1S/C14H15N3O3S/c15-13-5-7-20-14-4-3-11(8-12(13)14)21(18,19)17-10-2-1-6-16-9-10/h1-4,6,8-9,13,17H,5,7,15H2
InChIKeyHVBRMIBCMPQYOY-UHFFFAOYSA-N
XLogP1.66
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-3,4-dihydro-2H-chromene-6-sulfonamide
CID 43186511
(4S)-6-methylsulfonyl-3,4-dihydro-2H-chromen-4-amine
CID 131548792
N-pyridin-3-ylnaphthalene-2-sulfonamide
CID 849014
3-amino-4-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 29034135
N-[4-(pyridin-3-ylmethylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 112983088
3-bromo-4-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 71991673
4-fluoro-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide
CID 106033379
3-amino-4-methoxy-N-pyridin-3-ylbenzenesulfonamide
CID 29275645
3,5-dichloro-N-pyridin-3-ylbenzenesulfonamide
CID 3269893
4-ethyl-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide
CID 106033343
N-(6-amino-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 60791769
N-(5-methyl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110727348

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-pyridin-3-yl-3,4-dihydro-2H-chromene-6-sulfonamide?
The IUPAC name of 4-amino-N-pyridin-3-yl-3,4-dihydro-2H-chromene-6-sulfonamide (CID 82166580) is 4-amino-N-pyridin-3-yl-3,4-dihydro-2H-chromene-6-sulfonamide.
What is the SMILES notation for 4-amino-N-pyridin-3-yl-3,4-dihydro-2H-chromene-6-sulfonamide?
The canonical SMILES for 4-amino-N-pyridin-3-yl-3,4-dihydro-2H-chromene-6-sulfonamide is NC1CCOc2ccc(S(=O)(=O)Nc3cccnc3)cc21.
What is the InChIKey of 4-amino-N-pyridin-3-yl-3,4-dihydro-2H-chromene-6-sulfonamide?
The InChIKey is HVBRMIBCMPQYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c15-13-5-7-20-14-4-3-11(8-12(13)14)21(18,19)17-10-2-1-6-16-9-10/h1-4,6,8-9,13,17H,5,7,15H2.
What are the key properties of 4-amino-N-pyridin-3-yl-3,4-dihydro-2H-chromene-6-sulfonamide?
4-amino-N-pyridin-3-yl-3,4-dihydro-2H-chromene-6-sulfonamide has a molecular weight of 305.36 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-pyridin-3-yl-3,4-dihydro-2H-chromene-6-sulfonamide is sourced from PubChem (CID 82166580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).