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

C19H23NO3S — CID 44623901

IUPACN-(3,4-dimethylphenyl)-2,2-dimethyl-3,4-dihydrochromene-6-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)cc1C
InChIInChI=1S/C19H23NO3S/c1-13-5-6-16(11-14(13)2)20-24(21,22)17-7-8-18-15(12-17)9-10-19(3,4)23-18/h5-8,11-12,20H,9-10H2,1-4H3
InChIKeyRDGMGVMWGBPXRU-UHFFFAOYSA-N
MW345.46 g/mol
LogP4.21
Rot. Bonds3

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

N-(3,4-dimethylphenyl)-2,2-dimethyl-3,4-dihydrochromene-6-sulfonamide (PubChem CID 44623901) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2,2-dimethyl-3,4-dihydrochromene-6-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2,2-dimethyl-3,4-dihydrochromene-6-sulfonamide
PubChem CID44623901
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC NameN-(3,4-dimethylphenyl)-2,2-dimethyl-3,4-dihydrochromene-6-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)cc1C
InChIInChI=1S/C19H23NO3S/c1-13-5-6-16(11-14(13)2)20-24(21,22)17-7-8-18-15(12-17)9-10-19(3,4)23-18/h5-8,11-12,20H,9-10H2,1-4H3
InChIKeyRDGMGVMWGBPXRU-UHFFFAOYSA-N
XLogP4.21
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(1E)-1-(6H-benzo[c][1]benzoxepin-11-ylidene)propyl]phenyl]methanesulfonamide
CID 9978625
N-[3-[(1E)-1-(6H-benzo[c][1]benzoxepin-11-ylidene)ethyl]phenyl]methanesulfonamide
CID 24851053
N-(4-ethylphenyl)-2-oxo-2H-chromene-6-sulfonamide
CID 935188
N-(2,3-dimethylphenyl)-2-oxo-2H-chromene-6-sulfonamide
CID 6473518
N-(4-fluorophenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 850027
N-(4-ethoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 893786
4-methoxy-3-methyl-N-2-naphthylbenzenesulfonamide
CID 893971
N-(3,5-dimethylphenyl)-2-oxo-2H-chromene-6-sulfonamide
CID 935157
4-ethoxy-N-(4-fluorophenyl)-2,3-dimethylbenzenesulfonamide
CID 935391
N-(2,3-dihydro-1H-inden-5-yl)-4-methoxybenzenesulfonamide
CID 1541678
N-(2,2,4-trimethyl-2,3-dihydro-1-benzofuran-7-yl)benzenesulfonamide
CID 3767572
3-cyano-N-phenyl-4-(2-phenylphenoxy)benzenesulfonamide
CID 68657852

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2,2-dimethyl-3,4-dihydrochromene-6-sulfonamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2,2-dimethyl-3,4-dihydrochromene-6-sulfonamide (CID 44623901) is N-(3,4-dimethylphenyl)-2,2-dimethyl-3,4-dihydrochromene-6-sulfonamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2,2-dimethyl-3,4-dihydrochromene-6-sulfonamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2,2-dimethyl-3,4-dihydrochromene-6-sulfonamide is Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2,2-dimethyl-3,4-dihydrochromene-6-sulfonamide?
The InChIKey is RDGMGVMWGBPXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-13-5-6-16(11-14(13)2)20-24(21,22)17-7-8-18-15(12-17)9-10-19(3,4)23-18/h5-8,11-12,20H,9-10H2,1-4H3.
What are the key properties of N-(3,4-dimethylphenyl)-2,2-dimethyl-3,4-dihydrochromene-6-sulfonamide?
N-(3,4-dimethylphenyl)-2,2-dimethyl-3,4-dihydrochromene-6-sulfonamide has a molecular weight of 345.46 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2,2-dimethyl-3,4-dihydrochromene-6-sulfonamide is sourced from PubChem (CID 44623901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).