2,2-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydrochromene-6-sulfonamide

C17H20N2O3S — CID 100553515

IUPAC2,2-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydrochromene-6-sulfonamide
SMILESCC1(C)CCc2cc(S(=O)(=O)NCc3cccnc3)ccc2O1
InChIInChI=1S/C17H20N2O3S/c1-17(2)8-7-14-10-15(5-6-16(14)22-17)23(20,21)19-12-13-4-3-9-18-11-13/h3-6,9-11,19H,7-8,12H2,1-2H3
InChIKeyFSSCQKBOXFRONX-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.66
Rot. Bonds4

About 2,2-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydrochromene-6-sulfonamide

2,2-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydrochromene-6-sulfonamide (PubChem CID 100553515) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2,2-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydrochromene-6-sulfonamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydrochromene-6-sulfonamide
PubChem CID100553515
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name2,2-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydrochromene-6-sulfonamide
SMILESCC1(C)CCc2cc(S(=O)(=O)NCc3cccnc3)ccc2O1
InChIInChI=1S/C17H20N2O3S/c1-17(2)8-7-14-10-15(5-6-16(14)22-17)23(20,21)19-12-13-4-3-9-18-11-13/h3-6,9-11,19H,7-8,12H2,1-2H3
InChIKeyFSSCQKBOXFRONX-UHFFFAOYSA-N
XLogP2.66
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(pyridin-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51178731
2-oxo-N-(pyridin-3-ylmethyl)-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 45106730
2-methyl-3-oxo-N-(pyridin-3-ylmethyl)-4H-1,4-benzoxazine-6-sulfonamide
CID 46962904
N-[[3-fluoro-5-[3-(trifluoromethoxy)phenyl]phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromene-6-sulfonamide
CID 141309328
1-acetyl-N-(pyridin-3-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 3640433
4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 43853556
4-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 741472
2,2-dimethyl-3,4-dihydrochromene-6-sulfonic acid
CID 87681776
2-methyl-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-sulfonamide
CID 110760524
N-[[4-[(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 130431441
2,2-dimethyl-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-3,4-dihydrochromene-6-sulfonamide
CID 59679914
1-(cyclopropanecarbonyl)-3,3-dimethyl-N-(pyridin-3-ylmethyl)-2H-indole-5-sulfonamide
CID 53105744

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydrochromene-6-sulfonamide?
The IUPAC name of 2,2-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydrochromene-6-sulfonamide (CID 100553515) is 2,2-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydrochromene-6-sulfonamide.
What is the SMILES notation for 2,2-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydrochromene-6-sulfonamide?
The canonical SMILES for 2,2-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydrochromene-6-sulfonamide is CC1(C)CCc2cc(S(=O)(=O)NCc3cccnc3)ccc2O1.
What is the InChIKey of 2,2-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydrochromene-6-sulfonamide?
The InChIKey is FSSCQKBOXFRONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-17(2)8-7-14-10-15(5-6-16(14)22-17)23(20,21)19-12-13-4-3-9-18-11-13/h3-6,9-11,19H,7-8,12H2,1-2H3.
What are the key properties of 2,2-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydrochromene-6-sulfonamide?
2,2-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydrochromene-6-sulfonamide has a molecular weight of 332.43 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydrochromene-6-sulfonamide is sourced from PubChem (CID 100553515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).