N-(4-methoxyphenyl)-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-sulfonamide

C23H22N2O5S — CID 11112956

IUPACN-(4-methoxyphenyl)-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc3c(c2)C(n2ccccc2=O)=CC(C)(C)O3)cc1
InChIInChI=1S/C23H22N2O5S/c1-23(2)15-20(25-13-5-4-6-22(25)26)19-14-18(11-12-21(19)30-23)31(27,28)24-16-7-9-17(29-3)10-8-16/h4-15,24H,1-3H3
InChIKeyQXAWHDUOKORQLJ-UHFFFAOYSA-N
MW438.51 g/mol
LogP3.72
Rot. Bonds5

About N-(4-methoxyphenyl)-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-sulfonamide

N-(4-methoxyphenyl)-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-sulfonamide (PubChem CID 11112956) has the molecular formula C23H22N2O5S and a molecular weight of 438.51 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-sulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-sulfonamide
PubChem CID11112956
Molecular FormulaC23H22N2O5S
Molecular Weight438.51 g/mol
Exact Mass438.12
IUPAC NameN-(4-methoxyphenyl)-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc3c(c2)C(n2ccccc2=O)=CC(C)(C)O3)cc1
InChIInChI=1S/C23H22N2O5S/c1-23(2)15-20(25-13-5-4-6-22(25)26)19-14-18(11-12-21(19)30-23)31(27,28)24-16-7-9-17(29-3)10-8-16/h4-15,24H,1-3H3
InChIKeyQXAWHDUOKORQLJ-UHFFFAOYSA-N
XLogP3.72
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboxamide
CID 14182564
1-[2,2-dimethyl-6-(4-nitrobenzoyl)chromen-4-yl]pyridin-2-one
CID 10525140
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
3-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]-N-(4-methoxyphenyl)benzenesulfonamide
CID 168538831
4-methoxy-N-(6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)benzenesulfonamide
CID 16826883
N-(4-anilinophenyl)-4-methoxybenzenesulfonamide
CID 1011074
N-[4-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]phenyl]-4-methoxybenzenesulfonamide
CID 138608771
N-(4-methoxyphenyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide
CID 46281837
4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-disulfonamide
CID 3106646
N-(1,3-dioxoisoindol-5-yl)-4-methoxybenzenesulfonamide
CID 1244571
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide
CID 1034649
N-(9H-fluoren-2-yl)-4-methoxybenzenesulfonamide
CID 3775987

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-sulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-sulfonamide (CID 11112956) is N-(4-methoxyphenyl)-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-sulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-sulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-sulfonamide is COc1ccc(NS(=O)(=O)c2ccc3c(c2)C(n2ccccc2=O)=CC(C)(C)O3)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-sulfonamide?
The InChIKey is QXAWHDUOKORQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5S/c1-23(2)15-20(25-13-5-4-6-22(25)26)19-14-18(11-12-21(19)30-23)31(27,28)24-16-7-9-17(29-3)10-8-16/h4-15,24H,1-3H3.
What are the key properties of N-(4-methoxyphenyl)-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-sulfonamide?
N-(4-methoxyphenyl)-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-sulfonamide has a molecular weight of 438.51 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-sulfonamide is sourced from PubChem (CID 11112956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).