2-[4-[(dimethylamino)methyl]phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide

C20H23N3O3S — CID 15546345

IUPAC2-[4-[(dimethylamino)methyl]phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccccc2-c2ccc(CN(C)C)cc2)c1C
InChIInChI=1S/C20H23N3O3S/c1-14-15(2)21-26-20(14)22-27(24,25)19-8-6-5-7-18(19)17-11-9-16(10-12-17)13-23(3)4/h5-12,22H,13H2,1-4H3
InChIKeyVODSUFXMZBPZCT-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.82
Rot. Bonds6

About 2-[4-[(dimethylamino)methyl]phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide

2-[4-[(dimethylamino)methyl]phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide (PubChem CID 15546345) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 2-[4-[(dimethylamino)methyl]phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-[4-[(dimethylamino)methyl]phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
PubChem CID15546345
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name2-[4-[(dimethylamino)methyl]phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccccc2-c2ccc(CN(C)C)cc2)c1C
InChIInChI=1S/C20H23N3O3S/c1-14-15(2)21-26-20(14)22-27(24,25)19-8-6-5-7-18(19)17-11-9-16(10-12-17)13-23(3)4/h5-12,22H,13H2,1-4H3
InChIKeyVODSUFXMZBPZCT-UHFFFAOYSA-N
XLogP3.82
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Bms 182874
CID 122272
Bms-187308
CID 9908909
3,5-dimethyl-N-(2-phenylethyl)-N-(phenylmethyl)-4-isoxazolesulfonamide
CID 3239540
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-phenylbenzenesulfonamide
CID 9840391
2''-Hydroxymethyl-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 9950670
5-Ethylamino-naphthalene-1-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 9974857
5-Pyrrolidin-1-yl-naphthalene-1-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 10022121
ETA antagonist 1
CID 10068813
Naphthalene-1-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 10357554
5-Isopropylamino-naphthalene-1-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 10361107
5-(Isopropyl-methyl-amino)-naphthalene-1-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 10361993
5-Dimethylamino-naphthalene-1-sulfonic acid (4-ethyl-3-methyl-isoxazol-5-yl)-amide
CID 10383850

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(dimethylamino)methyl]phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of 2-[4-[(dimethylamino)methyl]phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide (CID 15546345) is 2-[4-[(dimethylamino)methyl]phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2-[4-[(dimethylamino)methyl]phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2-[4-[(dimethylamino)methyl]phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide is Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(CN(C)C)cc2)c1C.
What is the InChIKey of 2-[4-[(dimethylamino)methyl]phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide?
The InChIKey is VODSUFXMZBPZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-14-15(2)21-26-20(14)22-27(24,25)19-8-6-5-7-18(19)17-11-9-16(10-12-17)13-23(3)4/h5-12,22H,13H2,1-4H3.
What are the key properties of 2-[4-[(dimethylamino)methyl]phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide?
2-[4-[(dimethylamino)methyl]phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide has a molecular weight of 385.49 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(dimethylamino)methyl]phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 15546345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).