3,4-dimethoxybenzenesulfonyl chloride;3,4-dimethoxy-N-(3-phenyl-1,2-oxazol-5-yl)benzenesulfonamide;3-phenyl-1,2-oxazol-5-amine

C34H33ClN4O10S2 — CID 160510770

IUPAC3,4-dimethoxybenzenesulfonyl chloride;3,4-dimethoxy-N-(3-phenyl-1,2-oxazol-5-yl)benzenesulfonamide;3-phenyl-1,2-oxazol-5-amine
SMILESCOc1ccc(S(=O)(=O)Cl)cc1OC.COc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)no2)cc1OC.Nc1cc(-c2ccccc2)no1
InChIInChI=1S/C17H16N2O5S.C9H8N2O.C8H9ClO4S/c1-22-15-9-8-13(10-16(15)23-2)25(20,21)19-17-11-14(18-24-17)12-6-4-3-5-7-12;10-9-6-8(11-12-9)7-4-2-1-3-5-7;1-12-7-4-3-6(14(9,10)11)5-8(7)13-2/h3-11,19H,1-2H3;1-6H,10H2;3-5H,1-2H3
InChIKeyQTAALHMZHFKKPR-UHFFFAOYSA-N
MW757.24 g/mol
LogP6.71
Rot. Bonds10

About 3,4-dimethoxybenzenesulfonyl chloride;3,4-dimethoxy-N-(3-phenyl-1,2-oxazol-5-yl)benzenesulfonamide;3-phenyl-1,2-oxazol-5-amine

3,4-dimethoxybenzenesulfonyl chloride;3,4-dimethoxy-N-(3-phenyl-1,2-oxazol-5-yl)benzenesulfonamide;3-phenyl-1,2-oxazol-5-amine (PubChem CID 160510770) has the molecular formula C34H33ClN4O10S2 and a molecular weight of 757.24 g/mol. Its IUPAC name is 3,4-dimethoxybenzenesulfonyl chloride;3,4-dimethoxy-N-(3-phenyl-1,2-oxazol-5-yl)benzenesulfonamide;3-phenyl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3,4-dimethoxybenzenesulfonyl chloride;3,4-dimethoxy-N-(3-phenyl-1,2-oxazol-5-yl)benzenesulfonamide;3-phenyl-1,2-oxazol-5-amine
PubChem CID160510770
Molecular FormulaC34H33ClN4O10S2
Molecular Weight757.24 g/mol
Exact Mass756.13
IUPAC Name3,4-dimethoxybenzenesulfonyl chloride;3,4-dimethoxy-N-(3-phenyl-1,2-oxazol-5-yl)benzenesulfonamide;3-phenyl-1,2-oxazol-5-amine
SMILESCOc1ccc(S(=O)(=O)Cl)cc1OC.COc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)no2)cc1OC.Nc1cc(-c2ccccc2)no1
InChIInChI=1S/C17H16N2O5S.C9H8N2O.C8H9ClO4S/c1-22-15-9-8-13(10-16(15)23-2)25(20,21)19-17-11-14(18-24-17)12-6-4-3-5-7-12;10-9-6-8(11-12-9)7-4-2-1-3-5-7;1-12-7-4-3-6(14(9,10)11)5-8(7)13-2/h3-11,19H,1-2H3;1-6H,10H2;3-5H,1-2H3
InChIKeyQTAALHMZHFKKPR-UHFFFAOYSA-N
XLogP6.71
TPSA195.31 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500757.24
LogP ≤ 56.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 3,4-dimethoxybenzenesulfonyl chloride;3,4-dimethoxy-N-(3-phenyl-1,2-oxazol-5-yl)benzenesulfonamide;3-phenyl-1,2-oxazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dimethoxybenzenesulfonyl chloride;3,4-dimethoxy-N-(4-phenylphenyl)benzenesulfonamide;4-phenylaniline
CID 160749115
3,4-dimethoxy-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide
CID 2815269
3,4-dimethoxy-N-(6-phenyl-3-pyridinyl)benzenesulfonamide
CID 110406353
3,4-dimethoxy-N-(5-phenyl-2-pyridinyl)benzenesulfonamide
CID 24995120
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-4-methylbenzenesulfonamide
CID 112503109
3-methoxy-4-phenylbenzenesulfonyl chloride
CID 115059705
3,4-dimethoxybenzenesulfonyl chloride;N-[(3,4-dimethoxyphenyl)methyl]-5-phenylpyridin-2-amine;5-phenylpyridin-2-amine
CID 161469915
3-(3-methoxy-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine
CID 3696985
N-(3-aminophenyl)-3,4-dimethoxybenzenesulfonamide
CID 17217527
N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 108784171
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4-dimethoxybenzenesulfonamide
CID 6494027
N-[2-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]benzamide
CID 15294861

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxybenzenesulfonyl chloride;3,4-dimethoxy-N-(3-phenyl-1,2-oxazol-5-yl)benzenesulfonamide;3-phenyl-1,2-oxazol-5-amine?
The IUPAC name of 3,4-dimethoxybenzenesulfonyl chloride;3,4-dimethoxy-N-(3-phenyl-1,2-oxazol-5-yl)benzenesulfonamide;3-phenyl-1,2-oxazol-5-amine (CID 160510770) is 3,4-dimethoxybenzenesulfonyl chloride;3,4-dimethoxy-N-(3-phenyl-1,2-oxazol-5-yl)benzenesulfonamide;3-phenyl-1,2-oxazol-5-amine.
What is the SMILES notation for 3,4-dimethoxybenzenesulfonyl chloride;3,4-dimethoxy-N-(3-phenyl-1,2-oxazol-5-yl)benzenesulfonamide;3-phenyl-1,2-oxazol-5-amine?
The canonical SMILES for 3,4-dimethoxybenzenesulfonyl chloride;3,4-dimethoxy-N-(3-phenyl-1,2-oxazol-5-yl)benzenesulfonamide;3-phenyl-1,2-oxazol-5-amine is COc1ccc(S(=O)(=O)Cl)cc1OC.COc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)no2)cc1OC.Nc1cc(-c2ccccc2)no1.
What is the InChIKey of 3,4-dimethoxybenzenesulfonyl chloride;3,4-dimethoxy-N-(3-phenyl-1,2-oxazol-5-yl)benzenesulfonamide;3-phenyl-1,2-oxazol-5-amine?
The InChIKey is QTAALHMZHFKKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5S.C9H8N2O.C8H9ClO4S/c1-22-15-9-8-13(10-16(15)23-2)25(20,21)19-17-11-14(18-24-17)12-6-4-3-5-7-12;10-9-6-8(11-12-9)7-4-2-1-3-5-7;1-12-7-4-3-6(14(9,10)11)5-8(7)13-2/h3-11,19H,1-2H3;1-6H,10H2;3-5H,1-2H3.
What are the key properties of 3,4-dimethoxybenzenesulfonyl chloride;3,4-dimethoxy-N-(3-phenyl-1,2-oxazol-5-yl)benzenesulfonamide;3-phenyl-1,2-oxazol-5-amine?
3,4-dimethoxybenzenesulfonyl chloride;3,4-dimethoxy-N-(3-phenyl-1,2-oxazol-5-yl)benzenesulfonamide;3-phenyl-1,2-oxazol-5-amine has a molecular weight of 757.24 g/mol, XLogP of 6.71, 10 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxybenzenesulfonyl chloride;3,4-dimethoxy-N-(3-phenyl-1,2-oxazol-5-yl)benzenesulfonamide;3-phenyl-1,2-oxazol-5-amine is sourced from PubChem (CID 160510770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).