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

C23H25N3O3S — CID 2738472

IUPAC2,2-dimethyl-N,N-bis(pyridin-2-ylmethyl)-3,4-dihydrochromene-6-sulfonamide
SMILESCC1(C)CCc2cc(S(=O)(=O)N(Cc3ccccn3)Cc3ccccn3)ccc2O1
InChIInChI=1S/C23H25N3O3S/c1-23(2)12-11-18-15-21(9-10-22(18)29-23)30(27,28)26(16-19-7-3-5-13-24-19)17-20-8-4-6-14-25-20/h3-10,13-15H,11-12,16-17H2,1-2H3
InChIKeyXKSKAHAZZLJWMM-UHFFFAOYSA-N
MW423.54 g/mol
LogP3.97
Rot. Bonds6

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

2,2-dimethyl-N,N-bis(pyridin-2-ylmethyl)-3,4-dihydrochromene-6-sulfonamide (PubChem CID 2738472) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is 2,2-dimethyl-N,N-bis(pyridin-2-ylmethyl)-3,4-dihydrochromene-6-sulfonamide.

Molecular Properties

Compound Name2,2-dimethyl-N,N-bis(pyridin-2-ylmethyl)-3,4-dihydrochromene-6-sulfonamide
PubChem CID2738472
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC Name2,2-dimethyl-N,N-bis(pyridin-2-ylmethyl)-3,4-dihydrochromene-6-sulfonamide
SMILESCC1(C)CCc2cc(S(=O)(=O)N(Cc3ccccn3)Cc3ccccn3)ccc2O1
InChIInChI=1S/C23H25N3O3S/c1-23(2)12-11-18-15-21(9-10-22(18)29-23)30(27,28)26(16-19-7-3-5-13-24-19)17-20-8-4-6-14-25-20/h3-10,13-15H,11-12,16-17H2,1-2H3
InChIKeyXKSKAHAZZLJWMM-UHFFFAOYSA-N
XLogP3.97
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide
CID 102189251
2,2-dimethyl-3,4-dihydrochromene-6-sulfonic acid
CID 87681776
2-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonyl-[[3-(3,4-dimethylphenyl)phenyl]methyl]amino]acetic acid
CID 53358262
2-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonyl-[(3-phenoxyphenyl)methyl]amino]acetamide
CID 118709707
2-[[3-(3-cyanophenyl)phenyl]methyl-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonyl]amino]acetic acid
CID 53358261
2-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonyl-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]amino]acetic acid
CID 53357915
2,2-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydrochromene-6-sulfonamide
CID 100553515
2-[(3-cyano-5-naphthalen-2-ylphenyl)methyl-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonyl]amino]acetic acid
CID 53358978
tert-butyl 2-[(3-bromophenyl)methyl-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonyl]amino]acetate
CID 58409105
N-(furan-2-ylmethyl)-4-nitro-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 121084763
2-[[5-chloro-3-(3-chlorophenyl)-5-fluorocyclohexa-1,3-dien-1-yl]methyl-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonyl]amino]acetic acid
CID 67355114
2,4,6-trimethyl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide
CID 102189250

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N,N-bis(pyridin-2-ylmethyl)-3,4-dihydrochromene-6-sulfonamide?
The IUPAC name of 2,2-dimethyl-N,N-bis(pyridin-2-ylmethyl)-3,4-dihydrochromene-6-sulfonamide (CID 2738472) is 2,2-dimethyl-N,N-bis(pyridin-2-ylmethyl)-3,4-dihydrochromene-6-sulfonamide.
What is the SMILES notation for 2,2-dimethyl-N,N-bis(pyridin-2-ylmethyl)-3,4-dihydrochromene-6-sulfonamide?
The canonical SMILES for 2,2-dimethyl-N,N-bis(pyridin-2-ylmethyl)-3,4-dihydrochromene-6-sulfonamide is CC1(C)CCc2cc(S(=O)(=O)N(Cc3ccccn3)Cc3ccccn3)ccc2O1.
What is the InChIKey of 2,2-dimethyl-N,N-bis(pyridin-2-ylmethyl)-3,4-dihydrochromene-6-sulfonamide?
The InChIKey is XKSKAHAZZLJWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-23(2)12-11-18-15-21(9-10-22(18)29-23)30(27,28)26(16-19-7-3-5-13-24-19)17-20-8-4-6-14-25-20/h3-10,13-15H,11-12,16-17H2,1-2H3.
What are the key properties of 2,2-dimethyl-N,N-bis(pyridin-2-ylmethyl)-3,4-dihydrochromene-6-sulfonamide?
2,2-dimethyl-N,N-bis(pyridin-2-ylmethyl)-3,4-dihydrochromene-6-sulfonamide has a molecular weight of 423.54 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N,N-bis(pyridin-2-ylmethyl)-3,4-dihydrochromene-6-sulfonamide is sourced from PubChem (CID 2738472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).