2,2-dimethyl-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-3,4-dihydrochromene-6-sulfonamide

C23H21N3O3S2 — CID 59679914

IUPAC2,2-dimethyl-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-3,4-dihydrochromene-6-sulfonamide
SMILESCC1(C)CCc2cc(S(=O)(=O)Nc3cccc(-c4nc5ccncc5s4)c3)ccc2O1
InChIInChI=1S/C23H21N3O3S2/c1-23(2)10-8-15-13-18(6-7-20(15)29-23)31(27,28)26-17-5-3-4-16(12-17)22-25-19-9-11-24-14-21(19)30-22/h3-7,9,11-14,26H,8,10H2,1-2H3
InChIKeyGZUMFKBPUJVOGS-UHFFFAOYSA-N
MW451.57 g/mol
LogP5.26
Rot. Bonds4

About 2,2-dimethyl-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-3,4-dihydrochromene-6-sulfonamide

2,2-dimethyl-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-3,4-dihydrochromene-6-sulfonamide (PubChem CID 59679914) has the molecular formula C23H21N3O3S2 and a molecular weight of 451.57 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-3,4-dihydrochromene-6-sulfonamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-3,4-dihydrochromene-6-sulfonamide
PubChem CID59679914
Molecular FormulaC23H21N3O3S2
Molecular Weight451.57 g/mol
Exact Mass451.10
IUPAC Name2,2-dimethyl-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-3,4-dihydrochromene-6-sulfonamide
SMILESCC1(C)CCc2cc(S(=O)(=O)Nc3cccc(-c4nc5ccncc5s4)c3)ccc2O1
InChIInChI=1S/C23H21N3O3S2/c1-23(2)10-8-15-13-18(6-7-20(15)29-23)31(27,28)26-17-5-3-4-16(12-17)22-25-19-9-11-24-14-21(19)30-22/h3-7,9,11-14,26H,8,10H2,1-2H3
InChIKeyGZUMFKBPUJVOGS-UHFFFAOYSA-N
XLogP5.26
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.57
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]benzenesulfonamide
CID 59680243
5-(benzenesulfonyl)-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]thiophene-2-sulfonamide
CID 59679841
1-acetyl-N-[3-(1,3-benzothiazol-2-yl)phenyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55434379
2,2-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydrochromene-6-sulfonamide
CID 100553515
N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-chlorobenzenesulfonamide
CID 1255601
4-fluoro-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
CID 16825197
2,2-dimethyl-3,4-dihydrochromene-6-sulfonic acid
CID 87681776
5-phenyl-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]thiophene-2-carboxamide
CID 59680303
2,2-dimethyl-N-[3-(1H-pyrazol-5-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-3,4-dihydrochromene-6-sulfonamide
CID 46882582
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 46392642
2-(3-methylphenoxy)-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]acetamide
CID 143409048
N-[3-(1,2-oxazol-5-yl)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide
CID 20927782

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-3,4-dihydrochromene-6-sulfonamide?
The IUPAC name of 2,2-dimethyl-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-3,4-dihydrochromene-6-sulfonamide (CID 59679914) is 2,2-dimethyl-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-3,4-dihydrochromene-6-sulfonamide.
What is the SMILES notation for 2,2-dimethyl-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-3,4-dihydrochromene-6-sulfonamide?
The canonical SMILES for 2,2-dimethyl-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-3,4-dihydrochromene-6-sulfonamide is CC1(C)CCc2cc(S(=O)(=O)Nc3cccc(-c4nc5ccncc5s4)c3)ccc2O1.
What is the InChIKey of 2,2-dimethyl-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-3,4-dihydrochromene-6-sulfonamide?
The InChIKey is GZUMFKBPUJVOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S2/c1-23(2)10-8-15-13-18(6-7-20(15)29-23)31(27,28)26-17-5-3-4-16(12-17)22-25-19-9-11-24-14-21(19)30-22/h3-7,9,11-14,26H,8,10H2,1-2H3.
What are the key properties of 2,2-dimethyl-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-3,4-dihydrochromene-6-sulfonamide?
2,2-dimethyl-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-3,4-dihydrochromene-6-sulfonamide has a molecular weight of 451.57 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-3,4-dihydrochromene-6-sulfonamide is sourced from PubChem (CID 59679914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).